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

• ChemBase ID: 220871
• Molecular Formular: C21H20N4O2
• Molecular Mass: 360.4091
• Monoisotopic Mass: 360.1586259
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCNC(=O)Cc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NCCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C21H20N4O2/c26-20(11-14-12-24-18-7-3-1-5-15(14)18)22-9-10-23-21(27)17-13-25-19-8-4-2-6-16(17)19/h1-8,12-13,24-25H,9-11H2,(H,22,26)(H,23,27)
• InChIKey: DMOGWKIMYXLWIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276781
• PubChem CID: 9925051

CALCULATED PROPERTIES

• Acid pKa: 12.416513
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): 2.1012886
• LogD (pH = 7.4): 2.1012847
• Log P: 2.1012888
• Molar Refractivity: 104.3216 cm^3
• Polarizability: 41.77349 Å^3
• Polar Surface Area: 89.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds