Basic information
- CAS
50741-83-8- Standard SMILES
Cc1ccc(C23CC4CC(CC(C(=O)Nc5ccccc5C(=O)O)(C4)C2)C3)cc1C- InChIKey
DTADCQZFUVPRNG-UHFFFAOYSA-N- Molecular formula
- C26H29NO3
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.21474379
Names & identifiers
- Preferred name
- Anthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-
- IUPAC
- 2-[[3-(3,4-dimethylphenyl)adamantane-1-carbonyl]amino]benzoic acid
Names & synonyms
50741-83-8N-(5-(3',4'-Xylyl)-3-adamantoyl)anthranilic acidBenzoic acid, 2-(((3-(3,4-dimethylphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-N-(5-(3',4'-Xylyl)-3-adamantylcarbonyl)anthranilic acidAnthranilic acid, N-(5-(3',4'-xylyl)-3-adamantylcarbonyl)-RefChem:319819DTXSID609649772-({[3-(3,4-Dimethylphenyl)adamantan-1-yl](hydroxy)methylidene}amino)benzoic acid
Database identifiers
- CAS
50741-83-8- PubChem CID
- 64360
- DTXSID
DTXSID60964977
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 688
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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