N-(4-Methoxyphenyl)-3-oxobutanamide

C11H13NO3CAS 5437-98-9207.23 g/mol

Open in Covalent MOL file
ONHOO
AmideEtherKetone

Properties

Molecular formula
C11H13NO3
Molar mass
207.23 g/mol
Exact mass
207.0895 Da
Melting point
117–118 °C
logP
1.61Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 129 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
5437-98-9
SMILES
COc1ccc(NC(=O)CC(C)=O)cc1
InChIKey
SWAJJKROCOJICG-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/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-methoxyphenyl)-3-oxo-
  • p-Acetoacetanisidide
  • 4′-Methoxyacetoacetanilide
  • N-(4-Methoxyphenyl)acetoacetamide
  • p-Methoxyacetoacetanilide
  • Acetoacetic acid p-anisidide
  • NSC 116392
  • NSC 16508
  • NSC 216130
  • N-(4-Methoxyphenyl)acetylacetamide
  • 4'-Methoxyacetoacetanilide

Work with N-(4-Methoxyphenyl)-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]24731-73-575 % similar N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-769 % similar N-(4-Methylphenyl)-3-oxobutanamide2415-85-265 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-863 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-263 % similar 4-Methoxyphenylacetone122-84-953 % similar N-Acetoacetyl cresidine85968-72-552 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-N-Acetylphenylalanine10172-89-1 Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate120974-97-2 Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-6 3,4,5-Trimethoxyphenylacetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 N-Acetyl-DL-phenylalanine2901-75-9

Elsewhere

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