N-[2-(furan-2-yl)ethyl]-5-methoxy-1-methyl-1H-indole-3-carboxamide

• ChemBase ID: 226845
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: c1(c2c(n(c1)C)ccc(c2)OC)C(=O)NCCc1occc1
• Canonical SMILES: COc1ccc2c(c1)c(cn2C)C(=O)NCCc1ccco1
• InChI: InChI=1S/C17H18N2O3/c1-19-11-15(14-10-13(21-2)5-6-16(14)19)17(20)18-8-7-12-4-3-9-22-12/h3-6,9-11H,7-8H2,1-2H3,(H,18,20)
• InChIKey: NLUZYSPBSWLFPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-5-methoxy-1-methyl-1H-indole-3-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-5-methoxy-1-methylindole-3-carboxamide

Database IDs

• PubChem SID: 164282755
• PubChem CID: 71753994

CALCULATED PROPERTIES

• Acid pKa: 15.341228
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0570083
• LogD (pH = 7.4): 2.0570085
• Log P: 2.0570085
• Molar Refractivity: 84.3484 cm^3
• Polarizability: 32.78469 Å^3
• Polar Surface Area: 56.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds