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

• ChemBase ID: 225380
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)NCCn1ccc2c1cccc2
• Canonical SMILES: O=C(Cn1cc(c2c1cccc2)C(=O)C)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C22H21N3O2/c1-16(26)19-14-25(21-9-5-3-7-18(19)21)15-22(27)23-11-13-24-12-10-17-6-2-4-8-20(17)24/h2-10,12,14H,11,13,15H2,1H3,(H,23,27)
• InChIKey: LBEMCSTZWCGCBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281290
• PubChem CID: 56763585

CALCULATED PROPERTIES

• Acid pKa: 15.3339615
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8722072
• LogD (pH = 7.4): 2.8722072
• Log P: 2.8722072
• Molar Refractivity: 105.3197 cm^3
• Polarizability: 42.710342 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds