Basic information
- Standard SMILES
COc1cc(O)c(C(=O)NCc2ccc(O)cc2O)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
SQCLSKGGXIWWPU-UHFFFAOYSA-N- Molecular formula
- C25H29NO5
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2-hydroxy-4-methoxybenzamide
- IUPAC
- 5-(1-adamantyl)-N-[(2,4-dihydroxyphenyl)methyl]-2-hydroxy-4-methoxybenzamide
Names & synonyms
CHEMBL2011795SCHEMBL15766023SCHEMBL29624427SQCLSKGGXIWWPU-UHFFFAOYSA-NPolyhydroxy benzamide derivative 2BDBM504848825-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2-hydroxy-4-methoxybenzamide
Database identifiers
- PubChem CID
- 57328616
- ChEMBL
CHEMBL2011795
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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