N-(2-ethoxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide

• ChemBase ID: 191517
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: C(=O)(Nc1c(OCC)cccc1)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: CCOc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H21N3O3/c1-2-26-18-10-6-5-9-17(18)23-20(25)19(24)21-12-11-14-13-22-16-8-4-3-7-15(14)16/h3-10,13,22H,2,11-12H2,1H3,(H,21,24)(H,23,25)
• InChIKey: NQYKNSXHUQCWOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]ethanediamide

Database IDs

• PubChem SID: 164247427
• PubChem CID: 1608021

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.8978972
• Log P: 2.8983169
• Molar Refractivity: 101.1007 cm^3
• Polarizability: 39.25499 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 10.392444
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.8983116

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds