chempirical

3-Oxo-N-(phenylmethyl)butanamide

C11H13NO2CAS 882-36-0191.23 g/mol

Open in Covalent MOL file
OONH
Ketone

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Melting point
101–102 °C
logP
2.12Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
882-36-0
SMILES
CC(=O)CC(O)=NCc1ccccc1
InChIKey
KOHNUEXAOQRRPI-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)

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

Names and synonyms

5 names
  • Butanamide, 3-oxo-N-(phenylmethyl)-
  • Acetoacetamide, N-benzyl-
  • Acetoacetobenzylamide
  • N-Benzylacetoacetamide
  • NSC 60240

Work with 3-Oxo-N-(phenylmethyl)butanamide

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

Acetoacetanilide102-01-266 % similar N-Benzyl-2-chloroacetamide2564-06-954 % similar O-Acetoacetotoluidide93-68-554 % similar N-Benzylacetamide588-46-553 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-952 % similar 2-Acetoacetylaminobenzoic acid35354-86-051 % similar N-(Phenylmethyl)hexadecanamide74058-71-250 % similar O-Acetoacetanisidide92-15-950 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-1 3-(4-Morpholinyl)benzaldehyde446866-87-1

Elsewhere

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