2-[(5,6-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 220357
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: c1([nH]c2c(c1)cc(c(c2)OC)OC)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc2[nH]c(cc2cc1OC)C(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O4/c1-30-20-10-15-9-19(27-18(15)11-21(20)31-2)23(29)26-13-22(28)24-8-7-14-12-25-17-6-4-3-5-16(14)17/h3-6,9-12,25,27H,7-8,13H2,1-2H3,(H,24,28)(H,26,29)
• InChIKey: ATANOTOMUGNDCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5,6-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(5,6-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164276267
• PubChem CID: 17572176

CALCULATED PROPERTIES

• Acid pKa: 12.671992
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 1.7575958
• LogD (pH = 7.4): 1.7575938
• Log P: 1.7575958
• Molar Refractivity: 117.1811 cm^3
• Polarizability: 46.77515 Å^3
• Polar Surface Area: 108.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds