2-[1-(propan-2-yl)-1H-indol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase ID: 226012
• Molecular Formular: C22H26N2O4
• Molecular Mass: 382.45284
• Monoisotopic Mass: 382.18925732
• SMILES: n1(cc(c2c1cccc2)CC(=O)Nc1cc(c(c(c1)OC)OC)OC)C(C)C
• Canonical SMILES: COc1cc(NC(=O)Cc2cn(c3c2cccc3)C(C)C)cc(c1OC)OC
• InChI: InChI=1S/C22H26N2O4/c1-14(2)24-13-15(17-8-6-7-9-18(17)24)10-21(25)23-16-11-19(26-3)22(28-5)20(12-16)27-4/h6-9,11-14H,10H2,1-5H3,(H,23,25)
• InChIKey: MAKFYMMGPRFQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(propan-2-yl)-1H-indol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-(1-isopropylindol-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

Database IDs

• PubChem SID: 164281922
• PubChem CID: 71692002

CALCULATED PROPERTIES

• Acid pKa: 13.687112
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.6681032
• LogD (pH = 7.4): 3.668103
• Log P: 3.6681032
• Molar Refractivity: 110.1831 cm^3
• Polarizability: 43.001965 Å^3
• Polar Surface Area: 61.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds