N-(2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)ethanediamide

• ChemBase ID: 220002
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: c1(c(NC(=O)C(=O)N)cccc1)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: NC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H18N4O3/c20-17(24)19(26)23-16-8-4-2-6-14(16)18(25)21-10-9-12-11-22-15-7-3-1-5-13(12)15/h1-8,11,22H,9-10H2,(H2,20,24)(H,21,25)(H,23,26)
• InChIKey: GZRFYFIHBLWQND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)ethanediamide
• IUPAC Traditional name: N-(2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}phenyl)ethanediamide

Database IDs

• PubChem SID: 164275912
• PubChem CID: 17571866

CALCULATED PROPERTIES

• Acid pKa: 10.443895
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 2.1998158
• LogD (pH = 7.4): 2.1994512
• Log P: 2.1998203
• Molar Refractivity: 98.9673 cm^3
• Polarizability: 37.723434 Å^3
• Polar Surface Area: 117.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds