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

• ChemBase ID: 222697
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cn1cc(c2c1cccc2)C(=O)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H21N3O2/c1-15(26)19-13-25(21-9-5-3-7-18(19)21)14-22(27)23-11-10-16-12-24-20-8-4-2-6-17(16)20/h2-9,12-13,24H,10-11,14H2,1H3,(H,23,27)
• InChIKey: NUQRUEHODYWRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278607
• PubChem CID: 1095440

CALCULATED PROPERTIES

• Acid pKa: 15.293394
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8599446
• LogD (pH = 7.4): 2.8599446
• Log P: 2.8599446
• Molar Refractivity: 105.7016 cm^3
• Polarizability: 42.709347 Å^3
• Polar Surface Area: 66.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds