chempirical

N-(1-Methyl-2-oxopropyl)acetamide

C6H11NO2CAS 6628-81-5129.16 g/mol

Open in Covalent MOL file
ONHO
AmideKetone

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
logP
0.10Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6628-81-5
SMILES
CC(C(=O)C)NC(=O)C
InChIKey
IRVPUNRJDRXQBL-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • N-(3-Oxobutan-2-yl)acetamide
  • N-(1-Methyl-2-oxo-propyl)-acetamide
  • 3-Acetamido-2-butanone
  • N-(1-Methyl-2-oxopropyl)-acetamide
  • 3-Acetylamino-2-butanone
  • OBNA
  • Acetamide, N-(1-methyl-2-oxopropyl)-
  • N-(1-Methyl-2-oxo-propyl)acetamide

Work with N-(1-Methyl-2-oxopropyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ac-ala-ome3619-02-153 % similar Methyl isopropyl ketone563-80-440 % similar 3-Methyl-2,4-pentanedione815-57-640 % similar (3R)-(+)-3-Acetamidopyrrolidine131900-62-436 % similar N-Acetyl-D-leucine19764-30-836 % similar 3-Mercapto-2-butanone40789-98-836 % similar 3-Chloro-2-butanone4091-39-836 % similar Acetoin513-86-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 (+)-Pipecolic acid1723-00-8 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook