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

• ChemBase ID: 226070
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: n1(ccc2c1cccc2)CCNC(=O)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C19H20N2O2/c1-23-17-8-6-15(7-9-17)14-19(22)20-11-13-21-12-10-16-4-2-3-5-18(16)21/h2-10,12H,11,13-14H2,1H3,(H,20,22)
• InChIKey: ASHMCLPFOPFQLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281980
• PubChem CID: 3506674

CALCULATED PROPERTIES

• Acid pKa: 15.749845
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9942153
• LogD (pH = 7.4): 2.9942153
• Log P: 2.9942153
• Molar Refractivity: 90.6199 cm^3
• Polarizability: 36.2495 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds