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

• ChemBase ID: 208460
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: [nH]1c2c(c(c1)CCNC(=O)c1c(OC)cccc1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)c1ccccc1OC
• InChI: InChI=1S/C19H20N2O3/c1-23-14-7-8-15-13(12-21-17(15)11-14)9-10-20-19(22)16-5-3-4-6-18(16)24-2/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
• InChIKey: QBYJDCMNKWGCNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264370
• PubChem CID: 1783929

CALCULATED PROPERTIES

• Acid pKa: 14.146593
• 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: 36.678894 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