Anthranilic acid, N-(1,5,7-trimethyl-3-adamantylcarbonyl)-

HCID 64359

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Basic information

CAS: 50741-82-7
Standard SMILES: CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccccc1C(=O)O)(C2)C3
InChIKey: JDMHWDBJQCVYOI-UHFFFAOYSA-N
Molecular formula: C21H27NO3
Average molar mass: 341.4 g/mol
Monoisotopic mass: 341.19909372

Names & identifiers

Preferred name: Anthranilic acid, N-(1,5,7-trimethyl-3-adamantylcarbonyl)-
IUPAC: 2-[(3,5,7-trimethyladamantane-1-carbonyl)amino]benzoic acid

Names & synonyms

BRN 289709050741-82-7N-(1,5,7-Trimethyl-3-adamantylcarbonyl)anthranilic acidAnthranilic acid, N-(1,5,7-trimethyl-3-adamantylcarbonyl)-N-(1,5,7-Trimethyl-3-adamantoyl)anthranilic acidDTXSID50198784Benzoic acid, 2-(((3,5,7-trimethyltricyclo(3.3.3.1.1(sup 3,7))dec-1-yl)carbonyl)amino)-RefChem:319797DTXCID101212752-(3,5,7-Trimethyltricyclo[3.3.1.1~3,7~]decane-1-carboxamido)benzoic acid

Database identifiers

CAS: 50741-82-7
PubChem CID: 64359
DTXSID: DTXSID50198784

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 553

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