N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-6-yl)ethanediamide

• ChemBase ID: 222608
• Molecular Formular: C20H18N4O2
• Molecular Mass: 346.38252
• Monoisotopic Mass: 346.14297584
• SMILES: C(=O)(C(=O)NCCc1c[nH]c2c1cccc2)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: O=C(C(=O)NCCc1c[nH]c2c1cccc2)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C20H18N4O2/c25-19(20(26)24-15-6-5-13-7-9-21-18(13)11-15)22-10-8-14-12-23-17-4-2-1-3-16(14)17/h1-7,9,11-12,21,23H,8,10H2,(H,22,25)(H,24,26)
• InChIKey: JDECGLWLWIKGOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-6-yl)ethanediamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-N'-(1H-indol-6-yl)ethanediamide

Database IDs

• PubChem SID: 164278518
• PubChem CID: 39378286

CALCULATED PROPERTIES

• Acid pKa: 11.066115
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): 2.797941
• LogD (pH = 7.4): 2.7978532
• Log P: 2.7979422
• Molar Refractivity: 100.9754 cm^3
• Polarizability: 40.131084 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