3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

• ChemBase ID: 219192
• Molecular Formular: C20H22N2O4
• Molecular Mass: 354.39968
• Monoisotopic Mass: 354.15795719
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCNC(=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1ccc(c(c1)OC)OC)c[nH]2
• InChI: InChI=1S/C20H22N2O4/c1-24-15-5-6-17-16(11-15)14(12-22-17)8-9-21-20(23)13-4-7-18(25-2)19(10-13)26-3/h4-7,10-12,22H,8-9H2,1-3H3,(H,21,23)
• InChIKey: UHDRIIGANHVXPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164275102
• PubChem CID: 2988177

CALCULATED PROPERTIES

• Acid pKa: 14.706332
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6864445
• LogD (pH = 7.4): 2.6864448
• Log P: 2.6864448
• Molar Refractivity: 99.8768 cm^3
• Polarizability: 39.18788 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