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

• ChemBase ID: 222538
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: n1(ccc2c1cccc2)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cn1ccc2c1cccc2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H19N3O/c24-20(14-23-12-10-15-5-1-4-8-19(15)23)21-11-9-16-13-22-18-7-3-2-6-17(16)18/h1-8,10,12-13,22H,9,11,14H2,(H,21,24)
• InChIKey: BVWJBTWPQAPDFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278448
• PubChem CID: 39378203

CALCULATED PROPERTIES

• Acid pKa: 15.668041
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.3022969
• LogD (pH = 7.4): 3.3022969
• Log P: 3.3022969
• Molar Refractivity: 95.2988 cm^3
• Polarizability: 39.018353 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds