N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]acetamide

• ChemBase ID: 220427
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O3/c1-27-20-8-7-17(30-2)11-16(20)12-21(27)23(29)26-14-22(28)24-10-9-15-13-25-19-6-4-3-5-18(15)19/h3-8,11-13,25H,9-10,14H2,1-2H3,(H,24,28)(H,26,29)
• InChIKey: RWKKEIVKWKGJTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methoxy-1-methyl-1H-indol-2-yl)formamido]acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[(5-methoxy-1-methylindol-2-yl)formamido]acetamide

Database IDs

• PubChem SID: 164276337
• PubChem CID: 17572238

CALCULATED PROPERTIES

• Acid pKa: 15.240663
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.1389432
• LogD (pH = 7.4): 2.1389432
• Log P: 2.1389432
• Molar Refractivity: 115.6146 cm^3
• Polarizability: 46.03132 Å^3
• Polar Surface Area: 88.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds