Basic information
- Standard SMILES
CCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(OCC)C(=O)O)cc2)c1- InChIKey
RKUFWHNCBZTJJJ-UHFFFAOYSA-N- Molecular formula
- C23H28N2O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20490738
Names & identifiers
- Preferred name
- 3-[4-[3-[Butylcarbamoyl(methyl)amino]phenyl]phenyl]-2-ethoxyprop-2-enoic acid
- IUPAC
- 3-[4-[3-[butylcarbamoyl(methyl)amino]phenyl]phenyl]-2-ethoxyprop-2-enoic acid
Names & synonyms
SCHEMBL4210637
Database identifiers
- PubChem CID
- 68957129
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
1 records
Compound notes
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