Basic information
- Standard SMILES
C=CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC2CCN(C(=O)NCCCCCCCC)CC2)cc1- InChIKey
ILZYECKACYTMAC-YTTGMZPUSA-N- Molecular formula
- C34H52N4O3
- Average molar mass
- 564.8 g/mol
Names & identifiers
- Preferred name
- 4-(4-{2-[(2S)-3-(2-Allyl-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-carboxylic acid octylamide
- IUPAC
- 4-[4-[2-[[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]ethyl]anilino]-N-octylpiperidine-1-carboxamide
Names & synonyms
SCHEMBL7096464ILZYECKACYTMAC-YTTGMZPUSA-N4-(4-{2-[(2S)-3-(2-Allyl-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic Acid Octylamide4-(4-{2-[(2S)-3-(2-Allyl-phenoxy)-2-hydroxy-propylamino]-ethyl}-phenylamino)-piperidine-carboxylic acid octylamide
Database identifiers
- PubChem CID
- 10144441
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
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