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

• ChemBase ID: 218953
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: C1(=O)N(c2c(C1NC(=O)C(=O)NCCc1c[nH]c3c1cccc3)cccc2)C(C)C
• Canonical SMILES: O=C(C(=O)NC1C(=O)N(c2c1cccc2)C(C)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O3/c1-14(2)27-19-10-6-4-8-17(19)20(23(27)30)26-22(29)21(28)24-12-11-15-13-25-18-9-5-3-7-16(15)18/h3-10,13-14,20,25H,11-12H2,1-2H3,(H,24,28)(H,26,29)
• InChIKey: KNSVBXCWPGSUCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274863
• PubChem CID: 16408889

CALCULATED PROPERTIES

• Acid pKa: 11.70351
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.1945293
• LogD (pH = 7.4): 2.1945105
• Log P: 2.1945295
• Molar Refractivity: 113.2756 cm^3
• Polarizability: 44.573067 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds