Basic information
- Standard SMILES
COc1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1OC- InChIKey
GXKPMXKEYHOACC-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
- IUPAC
- 3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
Names & synonyms
SCHEMBL4001591
Database identifiers
- PubChem CID
- 68872402
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
1 records
Compound notes
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