N-[2-(1H-indol-3-yl)ethyl]-2,4-dimethoxybenzamide

• ChemBase ID: 220745
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(c(cc(cc1)OC)OC)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc(OC)ccc1C(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H20N2O3/c1-23-14-7-8-16(18(11-14)24-2)19(22)20-10-9-13-12-21-17-6-4-3-5-15(13)17/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
• InChIKey: ZJFDZVONVIDRQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dimethoxybenzamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2,4-dimethoxybenzamide

Database IDs

• PubChem SID: 164276655
• PubChem CID: 16386796

CALCULATED PROPERTIES

• Acid pKa: 14.237975
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8441157
• LogD (pH = 7.4): 2.844116
• Log P: 2.844116
• Molar Refractivity: 93.4136 cm^3
• Polarizability: 36.679592 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds