chempirical

N-Phenyl-isobutyloylacetamide

C12H15NO2CAS 124401-38-3205.26 g/mol

Open in Covalent MOL file
OOHN
AmideKetone

Properties

Molecular formula
C12H15NO2
Molar mass
205.26 g/mol
Exact mass
205.1103 Da
logP
2.24Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
124401-38-3
SMILES
CC(C)C(=O)CC(=O)NC1=CC=CC=C1
InChIKey
ADHRFDCBLJVNFO-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO2/c1-9(2)11(14)8-12(15)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,15)

Weigh it out

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

Names and synonyms

1 names
  • 4-Methyl-3-oxo-N-phenylpentanamide

Work with N-Phenyl-isobutyloylacetamide

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

3-Methyl-1-phenyl-2-butanone2893-05-250 % similar N,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-546 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-645 % similar Oxanilide620-81-541 % similar N-(4-Methylphenyl)-3-oxobutanamide2415-85-240 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-840 % similar Isobutyrophenone611-70-138 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-938 % similar

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

Same formula

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 N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook