Basic information
- Standard SMILES
COc1ccc(/C=C/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC- InChIKey
PTELFEGAANIFQQ-AVSIYSEJSA-N- Molecular formula
- C22H22N2O3
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- (E,E)-2-(Phenylethylaminocarbonyl)-3-(3,4-dimethoxystyryl)acrylonitrile
- IUPAC
- (2E,4E)-2-cyano-5-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide
Names & synonyms
SCHEMBL6028906PTELFEGAANIFQQ-AVSIYSEJSA-N(E,E)-2-(Phenylethylaminocarbonyl)-3-(3,4-dimethoxystyryl) acrylonitrile(E,E)-2-(Phenylethylaminocarbonyl)-3-(3,4-dimethoxystyryl)acrylonitrile
Database identifiers
- PubChem CID
- 10109276
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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