Basic information
- CAS
34701-97-8- Standard SMILES
Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(Nc2ccccc2C(=O)O)c1C- InChIKey
HKEWMXWCGJGWLE-UHFFFAOYSA-N- Molecular formula
- C25H29NO2
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.21982917
Names & identifiers
- Preferred name
- Anthranilic acid, N-((3-(1-adamantyl)-5,6-dimethyl)phenyl)-
- IUPAC
- 2-[5-(1-adamantyl)-2,3-dimethylanilino]benzoic acid
Names & synonyms
BRN 301285234701-97-8ANTHRANILIC ACID, N-((3-(1-ADAMANTYL)-5,6-DIMETHYL)PHENYL)-N-((3-(1-Adamantyl)-5,6-dimethyl)phenyl) anthranilic acidDTXSID00188256RefChem:319792DTXCID30110747N-((3-(1-ADAMANTYL)-5,6-DIMETHYL)PHENYL)ANTHRANILIC ACID2-[5-(Adamantan-1-yl)-2,3-dimethylanilino]benzoic acid
Database identifiers
- CAS
34701-97-8- PubChem CID
- 36883
- DTXSID
DTXSID00188256
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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