Basic information
- CAS
32615-26-2- Standard SMILES
O=C(O)c1ccccc1Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1- InChIKey
OASHQVVSUCNHTO-UHFFFAOYSA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.18344366
Names & identifiers
- Preferred name
- Anthranilic acid, N-(4-(3-hydroxy-1-adamantyl)phenyl)-
- IUPAC
- 2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid
Names & synonyms
BRN 291004032615-26-2N-(4-(3-Hydroxy-1-adamantyl)phenyl) anthranilic acidAnthranilic acid, N-(4-(3-hydroxy-1-adamantyl)phenyl)-RefChem:319814DTXSID609543332-[4-(3-Hydroxyadamantan-1-yl)anilino]benzoic acid
Database identifiers
- CAS
32615-26-2- PubChem CID
- 64289
- DTXSID
DTXSID60954333
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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