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

• ChemBase ID: 226211
• Molecular Formular: C21H24N2O4
• Molecular Mass: 368.42626
• Monoisotopic Mass: 368.17360726
• SMILES: n1(c2c(cc1)cc(cc2)OC)CCNC(=O)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc2c(c1)ccn2CCNC(=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C21H24N2O4/c1-25-17-5-6-18-16(14-17)8-10-23(18)11-9-22-21(24)13-15-4-7-19(26-2)20(12-15)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,22,24)
• InChIKey: YQYXXAMPPTUADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282121
• PubChem CID: 52026863

CALCULATED PROPERTIES

• Acid pKa: 15.394664
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6788726
• LogD (pH = 7.4): 2.6788726
• Log P: 2.6788726
• Molar Refractivity: 103.5463 cm^3
• Polarizability: 41.24935 Å^3
• Polar Surface Area: 61.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds