2-[1-(2-methoxyethyl)-1H-indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

• ChemBase ID: 227270
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: c1(cn(c2c1cccc2)CCOC)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COCCn1cc(c2c1cccc2)CC(=O)NCCc1ccc(cc1)OC
• InChI: InChI=1S/C22H26N2O3/c1-26-14-13-24-16-18(20-5-3-4-6-21(20)24)15-22(25)23-12-11-17-7-9-19(27-2)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,23,25)
• InChIKey: LCAGZQXTRXPLDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(2-methoxyethyl)-1H-indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-[1-(2-methoxyethyl)indol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

Database IDs

• PubChem SID: 164283180
• PubChem CID: 71754400

CALCULATED PROPERTIES

• Acid pKa: 15.789585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1586533
• LogD (pH = 7.4): 3.1586533
• Log P: 3.1586533
• Molar Refractivity: 106.942 cm^3
• Polarizability: 42.366512 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds