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

• ChemBase ID: 226271
• Molecular Formular: C20H22N2O2
• Molecular Mass: 322.40088
• Monoisotopic Mass: 322.16812795
• SMILES: c1(cn(c2c1cccc2)C)CC(=O)NCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1cn(c2c1cccc2)C
• InChI: InChI=1S/C20H22N2O2/c1-22-14-16(18-5-3-4-6-19(18)22)13-20(23)21-12-11-15-7-9-17(24-2)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,23)
• InChIKey: FQVVZFBADWRHFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282181
• PubChem CID: 45509922

CALCULATED PROPERTIES

• Acid pKa: 15.825436
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2056286
• LogD (pH = 7.4): 3.2056286
• Log P: 3.2056286
• Molar Refractivity: 95.8985 cm^3
• Polarizability: 38.01142 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