Basic information
- CAS
32615-25-1- Standard SMILES
O=C(O)c1ccccc1Nc1ccc(C23CC4CC(CC(C(=O)O)(C4)C2)C3)cc1- InChIKey
BIUBFJVDJRRNKO-UHFFFAOYSA-N- Molecular formula
- C24H25NO4
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.17835828
Names & identifiers
- Preferred name
- Anthranilic acid, N-(4-(3-carboxy-1-adamantyl)phenyl)-
- IUPAC
- 3-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acid
Names & synonyms
BRN 291579832615-25-1N-(4-(3-Carboxy-1-adamantyl)phenyl) anthranilic acidAnthranilic acid, N-(4-(3-carboxy-1-adamantyl)phenyl)-3-(4-(2-Carboxyphenyl)amino)phenyl)tricyclo(3.3.1.13,7)decane-1-carboxylic acidTricyclo(3.3.1.13,7)decane-1-carboxylic acid, 3-(4-(2-carboxyphenyl)amino)phenyl)-RefChem:3198133-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acidDTXSID00954332
Database identifiers
- CAS
32615-25-1- PubChem CID
- 64288
- DTXSID
DTXSID00954332
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 654
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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