CAS 446292-07-5

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Also known as: 446292-07-5, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione, 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-, 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

Molecular Formula

C₂₁H₂₁N₃O₅

Molecular Weight

395.4 g/mol

InChI Key

CKFVSMPWXAASIQ-MRXNPFEDSA-N

1 2D Structure

CAS 446292-07-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione

2.1.2 InChI

InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1

2.1.3 InChI Key

CKFVSMPWXAASIQ-MRXNPFEDSA-N

2.1.4 Canonical SMILES

C1COCC(=O)N1C2=CC=C(C=C2)NCC(CN3C(=O)C4=CC=CC=C4C3=O)O

2.1.5 Isomeric SMILES

C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CN3C(=O)C4=CC=CC=C4C3=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 446292-07-5

2. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

3. 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

4. 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione

5. 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-

6. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

7. Ec 610-200-5

8. Schembl77318

9. Amy4159

10. Dtxsid10467923

11. Bcp27211

12. Cs-m0561

13. Mfcd11977664

14. Zinc65742968

15. Akos016007842

16. Ds-4456

17. 2-((2r)-2-hydroxy-3-((4-(3-oxo-4-morpholinyl) Phenyl)amino)propyl)-1h-isoindole-1,3(2h)-dione

18. Ac-25296

19. F12082

20. A854756

21. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)-amino)propyl)isoindoline-1,3-dione

22. (r)-2-(2-hydroxy-3-(4-(3-oxo-morpholino)phenylamino)propyl)isoindoline-1,3-dione

23. (r)-2-(2-hydroxy-3-(4-(3-oxomorpholino)phenylamino)propyl)isoindoline-1,3-dione

24. (r)-2-{2-hydroxy-3-[4-(3-oxo-morpholin-4-yl)-phenylamino]-propyl}-isoindole-1,3-dione

25. 2-{(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl}-1h-isoindole-1,3(2h)-dione

26. 2-{2(r)-hydroxy-3-[4-(3-oxo-morpholin-4-yl)phenyl Amino]-propyl}-isoindole-1,3-dione

27. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione; 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

28. (r)-2-(2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

29. 1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]

30. 2((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

31. 2-((2r)-2-hydroxy-3-{ [4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

32. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-phenyl]amino}propyl)-1h-isoindole-1,3(2h)dione

33. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

34. 2-((2r)-2-hydroxy-3{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

35. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]-amino]propyl]-1h-isoindole-1,3(2h)-dione

36. 2-[(2r)-2-hydroxy-3-{[4(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

37. 2-[(2r)-2-hydroxy-3-{[4-(3-oxo Morpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₁N₃O₅
Molecular Weight	395.4 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	395.14812078 g/mol
Monoisotopic Mass	395.14812078 g/mol
Topological Polar Surface Area	99.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	610
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1