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Basic information
- Standard SMILES
O=CNc1cc([C@@H](O)CNCCc2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2)ccc1OCc1ccccc1- InChIKey
NAGSPSANZGJFRF-HLASSOBLSA-N- Molecular formula
- C36H44N2O4
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.33010789
Names & identifiers
- Preferred name
- [5-{(1R)-2-[(2-{4-[2-(1-adamantyl)ethoxy]phenyl}ethyl)-amino]-1-hydroxyethyl}-2-(benzyloxy)phenyl]formamide
- IUPAC
- N-[5-[(1R)-2-[2-[4-[2-(1-adamantyl)ethoxy]phenyl]ethylamino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide
Names & synonyms
SCHEMBL2749295NAGSPSANZGJFRF-HLASSOBLSA-N[5-{(1R)-2-[(2-{4-[2-(1-adamantyl)ethoxy]phenyl}ethyl)-amino]-1-hydroxyethyl}-2-(benzyloxy)phenyl]formamide
Database identifiers
- PubChem CID
- 86649159
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 782
Related reactions
2 records
Compound notes
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