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Also known as: 140923-17-7, Fencaramid, Melody, Chebi:82023, 94q9v45m9b, Propan-2-yl n-[(2s)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate

Molecular Formula

C₁₈H₂₈N₂O₃

Molecular Weight

320.4 g/mol

InChI Key

NWUWYYSKZYIQAE-WMCAAGNKSA-N

FDA UNII

94Q9V45M9B

1 2D Structure

Iprovalicarb

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-yl N-[(2S)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1

2.1.3 InChI Key

NWUWYYSKZYIQAE-WMCAAGNKSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C

2.2 Other Identifiers

2.2.1 UNII

94Q9V45M9B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-methyl-1-(1-(4-methylphenyl)ethylcarbonyl)propylcarbamic Acid Isopropyl Ester

2.3.2 Depositor-Supplied Synonyms

1. 140923-17-7

2. Fencaramid

3. Melody

4. Chebi:82023

5. 94q9v45m9b

6. Propan-2-yl N-[(2s)-3-methyl-1-[1-(4-methylphenyl)ethylamino]-1-oxobutan-2-yl]carbamate

7. Szx 0722

8. Propan-2-yl N-[3-methyl-1-[[(1s)-1-(4-methylphenyl)ethyl]amino]-1-oxobutan-2-yl]carbamate

9. Carbamic Acid, N-[(1s)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]-, 1-methylethyl Ester

10. Iprovalicarb [iso:bsi]

11. Nanogen Code Ipv, Nius

12. Szx-0722

13. Unii-94q9v45m9b

14. (rs)-iprovalicarb

15. Carbamic Acid, N-((1s)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl Ester

16. Iprovalicarb [mi]

17. Iprovalicarb [iso]

18. Dsstox_cid_27662

19. Dsstox_rid_82485

20. Dsstox_gsid_47662

21. Schembl3030564

22. Chembl3188690

23. Dtxsid0047662

24. Tox21_303633

25. Iprovalicarb 100 Microg/ml In Methanol

26. Ncgc00256659-01

27. Carbamic Acid, (1s)-2-methyl-1-1-(4-methylphenyl)ethylaminocarbonylpropyl-, 1-methylethyl Ester

28. Iprovalicarb 1000 Microg/ml In Methanol

29. Iprovalicarb 10 Microg/ml In Acetonitrile

30. Cas-140923-17-7

31. C18866

32. Q27155695

33. Isopropyl (2s)-3-methyl-1-oxo-1-(1-p-tolylethylamino)butan-2-ylcarbamate

34. Isopropyl 2-methyl-1-{((rs)-1-p-tolylethyl)carbamoyl}-(s)-propylcarbamate

35. Isopropyl-2-methyl-1-{[(rs)-1-p-tolylethyl]carbamoyl}-(s)-propylcarbamate

36. 1-methylethyl ((1s)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)carbamate

37. 2-methyl-1-(1-(4-methylphenyl)ethylcarbonyl)propylcarbamic Acid Isopropyl Ester

38. Isopropyl [(1s)-2-methyl-1-{[(1rs)-1-p-tolylethyl]carbamoyl}propyl]carbamate

39. 1-methylethyl N-[(1s)-2-methyl-1-[[[1-(4-methylphenyl)ethyl]amino]carbonyl]propyl]carbamate

40. Carbamic Acid, ((1s)-2-methyl-1-(((1-(4-methylphenyl)ethyl)amino)carbonyl)propyl)-, 1-methylethyl Ester

41. Pesticide3_iprovalicarb Isomer 1*_c18h28n2o3_isopropyl [(2s)-3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxo-2-butanyl]carbamate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₈N₂O₃
Molecular Weight	320.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	320.20999276 g/mol
Monoisotopic Mass	320.20999276 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1