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

• ChemBase ID: 218828
• Molecular Formular: C24H26N4O4
• Molecular Mass: 434.48764
• Monoisotopic Mass: 434.19540533
• SMILES: C1(=O)N(c2c(C1NC(=O)C(=O)NCCc1c3c([nH]c1)ccc(c3)OC)cccc2)C(C)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C(=O)NC1c3ccccc3N(C1=O)C(C)C)c[nH]2
• InChI: InChI=1S/C24H26N4O4/c1-14(2)28-20-7-5-4-6-17(20)21(24(28)31)27-23(30)22(29)25-11-10-15-13-26-19-9-8-16(32-3)12-18(15)19/h4-9,12-14,21,26H,10-11H2,1-3H3,(H,25,29)(H,27,30)
• InChIKey: FRBNEIIMQFSNDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274738
• PubChem CID: 16408774

CALCULATED PROPERTIES

• Acid pKa: 11.487894
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.0368578
• LogD (pH = 7.4): 2.0368268
• Log P: 2.0368583
• Molar Refractivity: 119.7388 cm^3
• Polarizability: 47.09046 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds