Isobutyramide

Synopsis, Chemistry

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Also known as: 563-83-7, 2-methylpropionamide, Propanamide, 2-methyl-, Isobutyrimidic acid, Isobutylamide, Mfcd00008019

Molecular Formula

C₄H₉NO

Molecular Weight

87.12 g/mol

InChI Key

WFKAJVHLWXSISD-UHFFFAOYSA-N

FDA UNII

82UOE7B38Z

isobutyramide is a natural product found in Otanthus maritimus and Streptomyces with data available.

1 2D Structure

Isobutyramide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methylpropanamide

2.1.2 InChI

InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)

2.1.3 InChI Key

WFKAJVHLWXSISD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

82UOE7B38Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 563-83-7

2. 2-methylpropionamide

3. Propanamide, 2-methyl-

4. Isobutyrimidic Acid

5. Isobutylamide

6. Mfcd00008019

7. 82uoe7b38z

8. Nsc-8423

9. Dimethylacetoamide

10. Nsc 8423

11. Einecs 209-265-9

12. Brn 1737615

13. Unii-82uoe7b38z

14. C-isopropylformamide

15. 2-methyl-propanamide

16. Isobutyric Acid Amide

17. Isobutyramide, 99%

18. Crystalponceau6r

19. 1-carbamoyl-1-methylethyl

20. 4-02-00-00852 (beilstein Handbook Reference)

21. 68424-61-3

22. Chembl352219

23. Glycerides, C16-18 And C18-unsatd. Mono- And Di-

24. Dtxsid1060340

25. Nsc8423

26. Chebi:193555

27. Zinc1484944

28. Bdbm50224866

29. Akos001084432

30. Cs-w019979

31. Nci60_041854

32. Sy015332

33. Db-052904

34. Db-072139

35. Ft-0627380

36. Ft-0672107

37. I0102

38. En300-17833

39. W-105521

40. Q10859786

41. Ibo

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO
Molecular Weight	87.12 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	87.068413911 g/mol
Monoisotopic Mass	87.068413911 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	58.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1