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

• ChemBase ID: 225874
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: c12ccn(c1cccc2NC(=O)Cc1c(OC)cccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cc1ccccc1OC
• InChI: InChI=1S/C20H22N2O3/c1-24-13-12-22-11-10-16-17(7-5-8-18(16)22)21-20(23)14-15-6-3-4-9-19(15)25-2/h3-11H,12-14H2,1-2H3,(H,21,23)
• InChIKey: SSPDZLPOGPRDIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281784
• PubChem CID: 71691887

CALCULATED PROPERTIES

• Acid pKa: 13.071553
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1630874
• LogD (pH = 7.4): 3.1630864
• Log P: 3.1630874
• Molar Refractivity: 99.1328 cm^3
• Polarizability: 38.668213 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds