chempirical

N-(4-Methylphenyl)-3-oxobutanamide

C11H13NO2CAS 2415-85-2191.23 g/mol

Open in Covalent MOL file
OOHN
AmideKetone

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Melting point
94–95 °C
logP
1.91Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
2415-85-2
SMILES
CC(=O)CC(=O)Nc1ccc(C)cc1
InChIKey
MJGLMEMIYDUEHA-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)

Weigh it out

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

Names and synonyms

11 names
  • Butanamide, N-(4-methylphenyl)-3-oxo-
  • p-Acetoacetotoluidide
  • Acetoacet-p-toluidide
  • 4′-Methylacetoacetanilide
  • Acetoacetic acid p-toluidide
  • p-Methylacetoacetanilide
  • NSC 50631
  • 1-(4-Methylphenylamino)buta-1,3-dione
  • N-(4-Methylphenyl)acetylacetamide
  • N-(p-Methylphenyl)-2-acetylacetamide
  • 3-Oxo-N-(p-tolyl)butanamide

Work with N-(4-Methylphenyl)-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

N,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-583 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-869 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-965 % similar N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-762 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-560 % similar N-Acetoacetyl cresidine85968-72-556 % similar 4,4'-Bis(o-acetoacetotoluidide)91-96-351 % similar 1-(4-Methylphenyl)propan-2-one2096-86-849 % 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 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9 2-Amino-5-phenyl-(2s)-4-pentenoic acid267650-37-3

Elsewhere

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