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

• ChemBase ID: 217911
• Molecular Formular: C24H26N4O3
• Molecular Mass: 418.48824
• Monoisotopic Mass: 418.20049071
• SMILES: C1(=O)N(c2c(C1NC(=O)C(=O)NCCc1c[nH]c3c1cccc3)cc(cc2)C)C(C)C
• Canonical SMILES: Cc1ccc2c(c1)C(NC(=O)C(=O)NCCc1c[nH]c3c1cccc3)C(=O)N2C(C)C
• InChI: InChI=1S/C24H26N4O3/c1-14(2)28-20-9-8-15(3)12-18(20)21(24(28)31)27-23(30)22(29)25-11-10-16-13-26-19-7-5-4-6-17(16)19/h4-9,12-14,21,26H,10-11H2,1-3H3,(H,25,29)(H,27,30)
• InChIKey: KCSVJYNIAMIDSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273821
• PubChem CID: 16407900

CALCULATED PROPERTIES

• Acid pKa: 11.756144
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.7079506
• LogD (pH = 7.4): 2.707934
• Log P: 2.7079508
• Molar Refractivity: 118.3168 cm^3
• Polarizability: 46.337563 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