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

• ChemBase ID: 227230
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: n1(cc(c2c1cccc2)CC(=O)NCCc1cc(c(cc1)OC)OC)C(C)C
• Canonical SMILES: COc1cc(CCNC(=O)Cc2cn(c3c2cccc3)C(C)C)ccc1OC
• InChI: InChI=1S/C23H28N2O3/c1-16(2)25-15-18(19-7-5-6-8-20(19)25)14-23(26)24-12-11-17-9-10-21(27-3)22(13-17)28-4/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,24,26)
• InChIKey: ULJKQXFJLMASOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283140
• PubChem CID: 71754361

CALCULATED PROPERTIES

• Acid pKa: 15.720462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8213403
• LogD (pH = 7.4): 3.8213403
• Log P: 3.8213403
• Molar Refractivity: 111.5291 cm^3
• Polarizability: 44.196213 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds