2-(3-acetyl-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]acetamide

• ChemBase ID: 225362
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)Nc1c2c(n(cc2)C(C)C)ccc1
• Canonical SMILES: O=C(Cn1cc(c2c1cccc2)C(=O)C)Nc1cccc2c1ccn2C(C)C
• InChI: InChI=1S/C23H23N3O2/c1-15(2)26-12-11-18-20(8-6-10-22(18)26)24-23(28)14-25-13-19(16(3)27)17-7-4-5-9-21(17)25/h4-13,15H,14H2,1-3H3,(H,24,28)
• InChIKey: JVBFEFHWMOBWDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-acetyl-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]acetamide
• IUPAC Traditional name: 2-(3-acetylindol-1-yl)-N-(1-isopropylindol-4-yl)acetamide

Database IDs

• PubChem SID: 164281272
• PubChem CID: 56763569

CALCULATED PROPERTIES

• Acid pKa: 12.54617
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8614376
• LogD (pH = 7.4): 3.8614347
• Log P: 3.8614376
• Molar Refractivity: 111.9565 cm^3
• Polarizability: 44.462864 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds