N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-4-yl)ethanediamide

• ChemBase ID: 222225
• Molecular Formular: C20H18N4O2
• Molecular Mass: 346.38252
• Monoisotopic Mass: 346.14297584
• SMILES: C(=O)(Nc1c2c([nH]cc2)ccc1)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(C(=O)Nc1cccc2c1cc[nH]2)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H18N4O2/c25-19(20(26)24-18-7-3-6-17-15(18)9-11-21-17)22-10-8-13-12-23-16-5-2-1-4-14(13)16/h1-7,9,11-12,21,23H,8,10H2,(H,22,25)(H,24,26)
• InChIKey: CDIDHWZMZBOGNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-4-yl)ethanediamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-4-yl)ethanediamide

Database IDs

• PubChem SID: 164278135
• PubChem CID: 39377819

CALCULATED PROPERTIES

• Acid pKa: 10.792746
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): 2.79794
• LogD (pH = 7.4): 2.7977753
• Log P: 2.7979422
• Molar Refractivity: 100.9754 cm^3
• Polarizability: 40.13363 Å^3
• Polar Surface Area: 89.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds