N-(adamantan-1-yl)-1-pentyl-1H-indole-3-carboxamide

• ChemBase ID: 125899
• Molecular Formular: C24H32N2O
• Molecular Mass: 364.52368
• Monoisotopic Mass: 364.25146365
• SMILES: CCCCCn1c2ccccc2c(c1)C(=O)NC12CC3CC(C1)CC(C2)C3
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)
• InChIKey: MDJYHWLDDJBTMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(adamantan-1-yl)-1-pentyl-1H-indole-3-carboxamide
• IUPAC Traditional name: N-(adamantan-1-yl)-1-pentylindole-3-carboxamide
• Synonyms: APICA

Database IDs

• CAS Number: 1345973-50-3
• PubChem SID: 162220243
• PubChem CID: 71308155
• Wikipedia Title: APICA

CALCULATED PROPERTIES

• Acid pKa: 15.353097
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2298717
• LogD (pH = 7.4): 5.229874
• Log P: 5.229874
• Molar Refractivity: 110.1077 cm^3
• Polarizability: 43.77195 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: Illegal in Japan