N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethanediamide

• ChemBase ID: 218897
• Molecular Formular: C22H22N4O4
• Molecular Mass: 406.43448
• Monoisotopic Mass: 406.1641052
• SMILES: C1(=O)N(c2c(C1NC(=O)C(=O)NCCc1c3c([nH]c1)ccc(c3)OC)cccc2)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(=O)NC1c3ccccc3N(C1=O)C)c[nH]2
• InChI: InChI=1S/C22H22N4O4/c1-26-18-6-4-3-5-15(18)19(22(26)29)25-21(28)20(27)23-10-9-13-12-24-17-8-7-14(30-2)11-16(13)17/h3-8,11-12,19,24H,9-10H2,1-2H3,(H,23,27)(H,25,28)
• InChIKey: QVSFRPLXRQYZAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)ethanediamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N'-(1-methyl-2-oxo-3H-indol-3-yl)ethanediamide

Database IDs

• PubChem SID: 164274807
• PubChem CID: 16408837

CALCULATED PROPERTIES

• Acid pKa: 11.394701
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2634747
• LogD (pH = 7.4): 1.2634363
• Log P: 1.2634753
• Molar Refractivity: 110.5714 cm^3
• Polarizability: 43.410168 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds