chempirical

Ethyl 3-(phenylamino)-2-butenoate

C12H15NO2CAS 6287-35-0205.26 g/mol

Open in Covalent MOL file
OOHN
AlkeneEsterSecondary amine

Properties

Molecular formula
C12H15NO2
Molar mass
205.26 g/mol
Exact mass
205.1103 Da
Melting point
140–143 °C
Boiling point
142–145 °C (at 5 Torr)
logP
2.57Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
6287-35-0
SMILES
CCOC(=O)C=C(C)Nc1ccccc1
InChIKey
NLGDIRPNWGZGLI-UHFFFAOYSA-N
InChI
InChI=1S/C12H15NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3

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Names and synonyms

7 names
  • 2-Butenoic acid, 3-(phenylamino)-, ethyl ester
  • Crotonic acid, 3-anilino-, ethyl ester
  • Ethyl 3-(phenylamino)crotonate
  • Ethyl 3-anilinocrotonate
  • Ethyl β-anilinocrotonate
  • Ethyl 3-anilino-2-butenoate
  • NSC 8741

Reactions

Work with Ethyl 3-(phenylamino)-2-butenoate

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

Potassium D-(1-ethoxycarbonylpropen-2-yl)-α-aminophenylacetate961-69-355 % similar Ethyl oxanilate1457-85-852 % similar Ethyl cinnamate103-36-650 % similar Triphenylcarbethoxymethylenephosphorane1099-45-250 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-848 % similar Ethyl 3,3-dimethylacrylate638-10-847 % similar N-Phenylglycine ethyl ester2216-92-447 % similar Ethyl 3,3-diethoxy-2-propenoate32002-24-745 % similar

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

Same formula

N-Phenyl-isobutyloylacetamide124401-38-3 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 N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-9

Elsewhere

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