3-(4-methoxy-1H-indol-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

• ChemBase ID: 223276
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: c12ccn(c1cccc2OC)CCC(=O)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNC(=O)CCn1ccc2c1cccc2OC
• InChI: InChI=1S/C20H22N2O3/c1-24-16-8-6-15(7-9-16)14-21-20(23)11-13-22-12-10-17-18(22)4-3-5-19(17)25-2/h3-10,12H,11,13-14H2,1-2H3,(H,21,23)
• InChIKey: UMQYZDYZHJFZDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxy-1H-indol-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: 3-(4-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164279186
• PubChem CID: 49652108

CALCULATED PROPERTIES

• Log P: 2.836544
• Molar Refractivity: 97.0831 cm^3
• Polarizability: 38.745644 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.509483
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.836544
• LogD (pH = 7.4): 2.836544

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds