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

• ChemBase ID: 226497
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: n1(cc(c2c1cccc2)CC(=O)NCCc1ccc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)Cc1cn(c2c1cccc2)C(C)C
• InChI: InChI=1S/C22H26N2O2/c1-16(2)24-15-18(20-6-4-5-7-21(20)24)14-22(25)23-13-12-17-8-10-19(26-3)11-9-17/h4-11,15-16H,12-14H2,1-3H3,(H,23,25)
• InChIKey: MWXHYMWIZIXTBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282407
• PubChem CID: 71753662

CALCULATED PROPERTIES

• Acid pKa: 15.895221
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9790115
• LogD (pH = 7.4): 3.9790115
• Log P: 3.9790115
• Molar Refractivity: 105.0659 cm^3
• Polarizability: 41.70361 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds