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

• ChemBase ID: 218880
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(c1c[nH]c2c1cccc2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H17N3O/c23-19(16-12-22-18-8-4-2-6-15(16)18)20-10-9-13-11-21-17-7-3-1-5-14(13)17/h1-8,11-12,21-22H,9-10H2,(H,20,23)
• InChIKey: RBSMHPYJLIDGGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274790
• PubChem CID: 12083383

CALCULATED PROPERTIES

• Acid pKa: 12.418502
• H Acceptors: 1
• H Donor: 3
• LogD (pH = 5.5): 3.2582204
• LogD (pH = 7.4): 3.2582164
• Log P: 3.2582204
• Molar Refractivity: 91.5737 cm^3
• Polarizability: 36.950912 Å^3
• Polar Surface Area: 60.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds