N-(2,5-Dimethoxyphenyl)-3-oxobutanamide

C12H15NO4CAS 6375-27-5237.25 g/mol

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EtherKetone

Properties

Molecular formula
C12H15NO4
Molar mass
237.25 g/mol
Exact mass
237.1001 Da
Melting point
67–68 °C
logP
2.27Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
6375-27-5
SMILES
COc1ccc(OC)c(N=C(O)CC(C)=O)c1
InChIKey
PJFIAKRRJLGWMD-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)

Weigh it out

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

Names and synonyms

6 names
  • Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-
  • Acetoacetanilide, 2′,5′-dimethoxy-
  • 2′,5′-Dimethoxyacetoacetanilide
  • Acetoacetyl 2,5-dimethoxyanilide
  • NSC 50634
  • 2',5'-Dimethoxyacetoacetanilide

Work with N-(2,5-Dimethoxyphenyl)-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

Acetoacet-o-anisidide92-15-970 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-864 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-951 % similar (2,4-Dimethoxyphenyl)acetone831-29-850 % similar N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-949 % similar 2′-Methylacetoacetanilide93-68-549 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-648 % similar Acetoacetanilide102-01-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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