Acetoacet-o-anisidide

C11H13NO3CAS 92-15-9207.23 g/mol

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EtherKetone

Properties

Molecular formula
C11H13NO3
Molar mass
207.23 g/mol
Exact mass
207.0895 Da
Melting point
86–87 °C
logP
2.26Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 224 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number
92-15-9
SMILES
COc1ccccc1N=C(O)CC(C)=O
InChIKey
KYYRTDXOHQYZPO-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)

Weigh it out

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Names and synonyms

17 names · show all
  • O-Acetoacetanisidide
  • Butanamide, N-(2-methoxyphenyl)-3-oxo-
  • N-(2-Methoxyphenyl)-3-oxobutanamide
  • Acetoacetyl-o-anisidine
  • o-Methoxyacetoacetanilide
  • 2-(Acetoacetylamino)anisole
  • Acetoacetic acid o-anisidide
  • 2′-Methoxyacetoacetanilide
  • Acetoacetyl-o-anisidide
  • 1-Acetoacetylamino-2-methoxybenzene
  • N-Acetoacetyl-o-anisidine
  • Acetoacetic acid 2-methoxyanilide
  • Acetoacetic acid 2-anisidide
  • Acetoaceto-o-anisidide
  • Acetoacet-2-anisidide
  • NSC 7563
  • N-(2-Methoxyphenyl)acetoacetamide

Work with Acetoacet-o-anisidide

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-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-070 % similar N-(2,5-Dimethoxyphenyl)-3-oxobutanamide6375-27-570 % similar 2′-Methylacetoacetanilide93-68-563 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-962 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-561 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-861 % similar N-(Acetoacetyl)anthranilic acid35354-86-060 % similar Acetoacetanilide102-01-259 % 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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