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Also known as: 40188-45-2, Ac-hophe-oh, N-(3-acetyl-4-hydroxyphenyl)butanamide, N-(3-acetyl-4-hydroxyphenyl)butyramide, 3'-acetyl-4'-hydroxybutyranilide, Butanamide, n-(3-acetyl-4-hydroxyphenyl)-
Molecular Formula
C12H15NO3
Molecular Weight
221.25  g/mol
InChI Key
FGWZEOPEZISTTR-UHFFFAOYSA-N
FDA UNII
14QJB65R4V

CAS 40188-45-2
1 2D Structure

CAS 40188-45-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(3-acetyl-4-hydroxyphenyl)butanamide
2.1.2 InChI
InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)
2.1.3 InChI Key
FGWZEOPEZISTTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC(=O)NC1=CC(=C(C=C1)O)C(=O)C
2.2 Other Identifiers
2.2.1 UNII
14QJB65R4V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 40188-45-2

2. Ac-hophe-oh

3. N-(3-acetyl-4-hydroxyphenyl)butanamide

4. N-(3-acetyl-4-hydroxyphenyl)butyramide

5. 3'-acetyl-4'-hydroxybutyranilide

6. Butanamide, N-(3-acetyl-4-hydroxyphenyl)-

7. 14qjb65r4v

8. Dtxsid7057737

9. Acebutolol Impurity C

10. Unii-14qjb65r4v

11. Einecs 254-831-0

12. 5'-butyramido-2'-hydroxyacetophenone

13. Ec 254-831-0

14. 2-acetyl-4-butyramidephenol

15. Schembl7569662

16. Chembl3184751

17. Dtxcid8031526

18. Fgwzeopezisttr-uhfffaoysa-n

19. Amy37078

20. Tox21_113821

21. Mfcd00798556

22. Akos000121374

23. N-(3-acetyl-4-hydroxy-phenyl)butanamide

24. Ncgc00253700-01

25. Ac-15462

26. As-56336

27. Pd065550

28. N-(3-acetyl-4-hydroxyphenyl)-bu-tanamide

29. Cas-40188-45-2

30. Cs-0204647

31. Ft-0639620

32. En300-16642

33. E79185

34. N-(3-acetyl-4-hydroxyphenyl)butanamide, 97%

35. A824966

36. Sr-01000058746

37. Sr-01000058746-1

38. W-106380

39. Q27251646

40. Z56347249

41. Acebutolol Hydrochloride Impurity C [ep Impurity]

42. Acebutolol Impurity C, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 221.25 g/mol
Molecular Formula C12H15NO3
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.4
Heavy Atom Count16
Formal Charge0
Complexity265
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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