N-(2,2-dimethyloxan-4-yl)-1-methyl-1H-indole-6-carboxamide

• ChemBase ID: 225016
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c12n(ccc2ccc(C(=O)NC2CC(OCC2)(C)C)c1)C
• Canonical SMILES: O=C(c1ccc2c(c1)n(C)cc2)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C17H22N2O2/c1-17(2)11-14(7-9-21-17)18-16(20)13-5-4-12-6-8-19(3)15(12)10-13/h4-6,8,10,14H,7,9,11H2,1-3H3,(H,18,20)
• InChIKey: ASBZSBHZFABGDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-1-methyl-1H-indole-6-carboxamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-1-methylindole-6-carboxamide

Database IDs

• PubChem SID: 164280926
• PubChem CID: 52994430

CALCULATED PROPERTIES

• Acid pKa: 15.072651
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.028337
• LogD (pH = 7.4): 2.028338
• Log P: 2.028338
• Molar Refractivity: 83.5488 cm^3
• Polarizability: 32.9877 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds