chempirical

N-(2,4-Dimethylphenyl)-3-oxobutanamide

C12H15NO2CAS 97-36-9205.26 g/mol

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OOHN
Ketone

Properties

Molecular formula
C12H15NO2
Molar mass
205.26 g/mol
Exact mass
205.1103 Da
Melting point
175–176 °C
logP
2.87Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
97-36-9
SMILES
CC(=O)CC(O)=Nc1ccc(C)cc1C
InChIKey
HGVIAKXYAZRSEG-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)

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Names and synonyms

12 names
  • Butanamide, N-(2,4-dimethylphenyl)-3-oxo-
  • 2′,4′-Acetoacetoxylidide
  • 1-Acetoacetylamino-2,4-dimethylbenzene
  • Acetoacetic acid m-xylidide
  • Acetoaceto-m-xylidide
  • Acetoacetyl-m-xylidide
  • 2,4-Acetoacetoxylidide
  • N-Acetoacetyl-2,4-xylidine
  • 2′,4′-Dimethylacetoacetanilide
  • o,p-Dimethylacetoacetanilide
  • NSC 8398
  • N-(2,4-Dimethylphenyl)acetoacetamide

Work with N-(2,4-Dimethylphenyl)-3-oxobutanamide

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

O-Acetoacetotoluidide93-68-568 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-955 % similar N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-052 % similar Acetoacetanilide102-01-251 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-651 % similar 2-Acetoacetylaminobenzoic acid35354-86-050 % similar 2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid70185-87-450 % similar N-(2,5-Dimethoxyphenyl)-3-oxobutanamide6375-27-549 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 Methyl 4-pyrrolidin-1-ylbenzoate129414-26-2 1-Benzyl-2-(methoxycarbonyl)azetidine18085-37-5 3,4-Diethoxybenzeneacetonitrile27472-21-5 4-Phenyl-4-piperidinecarboxylic acid3627-45-0 4′-Morpholinoacetophenone39910-98-0 Ethyl 3-(phenylamino)-2-butenoate6287-35-0

Elsewhere

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