2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 218173
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H19N3O/c24-20(11-15-13-23-19-8-4-2-6-17(15)19)21-10-9-14-12-22-18-7-3-1-5-16(14)18/h1-8,12-13,22-23H,9-11H2,(H,21,24)
• InChIKey: ZXJIWVMOHZSXFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274083
• PubChem CID: 16408151

CALCULATED PROPERTIES

• Acid pKa: 15.614547
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 3.238386
• LogD (pH = 7.4): 3.238386
• Log P: 3.238386
• Molar Refractivity: 95.6251 cm^3
• Polarizability: 39.01692 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds