(2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide

C₁₇H₁₄N₂O₃CAS 133550-30-8294.31 g/mol

Open in Covalent MOL file

Alkene Nitrile Phenol

Properties

Molecular formula: C₁₇H₁₄N₂O₃
Molar mass: 294.31 g/mol
Exact mass: 294.1004 Da
logP: 3.16Crippen estimate
Polar surface area: 96.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

133550-30-8

SMILES

N#C/C(=Cc1ccc(O)c(O)c1)C(O)=NCc1ccccc1

InChIKey

TUCIOBMMDDOEMM-RIYZIHGNSA-N

InChI

InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+

Weigh it out

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

Names and synonyms

4 names

2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-, (2E)-
2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-, (E)-
AG 490
Tyrphostin AG 490

Work with (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ag 490134036-52-5Defined stereoisomer

Similar compounds

Tyrphostin A46122520-85-851 % similar Tyrphostin 23118409-57-750 % similar 2-Cyano-3-(3-hydroxyphenyl)-2-propenoic acid54673-07-338 % similar Caffeic acid phenethyl ester104594-70-937 % similar α-Cyanocinnamic acid1011-92-337 % similar 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-936 % similar N-Benzylacrylamide13304-62-635 % similar α-Cyano-4-hydroxycinnamic acid28166-41-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Phenyl-1-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione72846-00-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook