Basic information
- Standard SMILES
CCCCCCCCCCNC(=O)C=Cc1cccc(NC(=O)C=CC(=O)O)c1- InChIKey
WZRAUQMGEJHNEO-UHFFFAOYSA-N- Molecular formula
- C23H32N2O4
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.23620751
Names & identifiers
- Preferred name
- 4-[3-[3-(Decylamino)-3-oxoprop-1-enyl]anilino]-4-oxobut-2-enoic acid
- IUPAC
- 4-[3-[3-(decylamino)-3-oxoprop-1-enyl]anilino]-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL11208872
Database identifiers
- PubChem CID
- 70538463
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Related reactions
2 records
Compound notes
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