Basic information
- CAS
50741-81-6- Standard SMILES
CC12CC3CC(C1)CC(C(=O)Nc1ccccc1C(=O)O)(C3)C2- InChIKey
QKDPNEKQTPDOSD-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.1677936
Names & identifiers
- Preferred name
- Anthranilic acid, N-(5-methyl-3-adamantylcarbonyl)-
- IUPAC
- 2-[(3-methyladamantane-1-carbonyl)amino]benzoic acid
Names & synonyms
BRN 2769356N-(5-Methyl-3-adamantylcarbonyl)anthranilic acid50741-81-6N-(5-Methyl-3-adamantoyl)anthranilic acidAnthranilic acid, N-(5-methyl-3-adamantylcarbonyl)-2-(((3-Methyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)benzoic acidBenzoic acid, 2-(((3-methyltricyclo(3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-RefChem:319822DTXSID009649762-{[Hydroxy(3-methyladamantan-1-yl)methylidene]amino}benzoic acid
Database identifiers
- CAS
50741-81-6- PubChem CID
- 64358
- DTXSID
DTXSID00964976
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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