2,6-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

• ChemBase ID: 218821
• Molecular Formular: C20H22N2O4
• Molecular Mass: 354.39968
• Monoisotopic Mass: 354.15795719
• SMILES: c1(C(=O)NCCc2c3c([nH]c2)ccc(c3)OC)c(OC)cccc1OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1c(OC)cccc1OC)c[nH]2
• InChI: InChI=1S/C20H22N2O4/c1-24-14-7-8-16-15(11-14)13(12-22-16)9-10-21-20(23)19-17(25-2)5-4-6-18(19)26-3/h4-8,11-12,22H,9-10H2,1-3H3,(H,21,23)
• InChIKey: STNMODHUWLPVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 2,6-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164274731
• PubChem CID: 16408768

CALCULATED PROPERTIES

• Acid pKa: 13.382986
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6864445
• LogD (pH = 7.4): 2.6864443
• Log P: 2.6864448
• Molar Refractivity: 99.8768 cm^3
• Polarizability: 39.19114 Å^3
• Polar Surface Area: 72.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds