N-(2-nitrophenyl)-(2-cyanophenyl)alanine dihexylamide
Basic information
- Standard SMILES
CCCCCCN(CCCCCC)C(=O)[C@H](C)N(c1ccccc1C#N)c1ccccc1[N+](=O)[O-]- InChIKey
ZGUHUOBQHJOJMK-QHCPKHFHSA-N- Molecular formula
- C28H38N4O3
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.29439109
Names & identifiers
- Preferred name
- N-(2-nitrophenyl)-(2-cyanophenyl)alanine dihexylamide
- IUPAC
- (2S)-2-(2-cyano-N-(2-nitrophenyl)anilino)-N,N-dihexylpropanamide
Names & synonyms
SCHEMBL7007547ZGUHUOBQHJOJMK-QHCPKHFHSA-NN-(2-nitrophenyl)-(2-cyanophenyl)alanine dihexylamide
Database identifiers
- PubChem CID
- 54546355
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 673
Related reactions
1 records
Compound notes
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