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

• ChemBase ID: 208631
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: [nH]1c2c(c(c1)CCNC(=O)c1cc(OC)ccc1)ccc(c2)OC
• Canonical SMILES: COc1cccc(c1)C(=O)NCCc1c[nH]c2c1ccc(c2)OC
• InChI: InChI=1S/C19H20N2O3/c1-23-15-5-3-4-13(10-15)19(22)20-9-8-14-12-21-18-11-16(24-2)6-7-17(14)18/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
• InChIKey: LXWYMXBTAVBNMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264541
• PubChem CID: 1784841

CALCULATED PROPERTIES

• Acid pKa: 14.591183
• 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: 36.676773 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