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

• ChemBase ID: 219249
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: c1(C(=O)NCCc2c3c([nH]c2)ccc(c3)OC)c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1ccccc1OC)c[nH]2
• InChI: InChI=1S/C19H20N2O3/c1-23-14-7-8-17-16(11-14)13(12-21-17)9-10-20-19(22)15-5-3-4-6-18(15)24-2/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
• InChIKey: NKOWOLUIUOQYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275159
• PubChem CID: 16409164

CALCULATED PROPERTIES

• Acid pKa: 14.14975
• 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: 36.679256 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