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

• ChemBase ID: 218059
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H20N2O2/c1-23-16-8-6-14(7-9-16)10-11-20-19(22)12-15-13-21-18-5-3-2-4-17(15)18/h2-9,13,21H,10-12H2,1H3,(H,20,22)
• InChIKey: CZMOKBVBQZHPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273969
• PubChem CID: 16408040

CALCULATED PROPERTIES

• Acid pKa: 15.603682
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9819527
• LogD (pH = 7.4): 2.9819527
• Log P: 2.9819527
• Molar Refractivity: 91.0018 cm^3
• Polarizability: 36.24885 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds