4,7-dimethoxy-1-methyl-N-(propan-2-yl)-1H-indole-2-carboxamide

• ChemBase ID: 225581
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: n1(c(cc2c1c(ccc2OC)OC)C(=O)NC(C)C)C
• Canonical SMILES: COc1ccc(c2c1n(C)c(c2)C(=O)NC(C)C)OC
• InChI: InChI=1S/C15H20N2O3/c1-9(2)16-15(18)11-8-10-12(19-4)6-7-13(20-5)14(10)17(11)3/h6-9H,1-5H3,(H,16,18)
• InChIKey: RCITWNVKISEPJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethoxy-1-methyl-N-(propan-2-yl)-1H-indole-2-carboxamide
• IUPAC Traditional name: N-isopropyl-4,7-dimethoxy-1-methylindole-2-carboxamide

Database IDs

• PubChem SID: 164281491
• PubChem CID: 71753366

CALCULATED PROPERTIES

• Acid pKa: 16.450008
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7480416
• LogD (pH = 7.4): 1.7480417
• Log P: 1.7480417
• Molar Refractivity: 77.9876 cm^3
• Polarizability: 30.695442 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds