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

• ChemBase ID: 225426
• Molecular Formular: C23H23N3O3
• Molecular Mass: 389.44702
• Monoisotopic Mass: 389.17394161
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C23H23N3O3/c1-16(27)19-14-26(21-8-4-3-6-17(19)21)15-23(28)24-20-7-5-9-22-18(20)10-11-25(22)12-13-29-2/h3-11,14H,12-13,15H2,1-2H3,(H,24,28)
• InChIKey: DQDBUSQELBVEER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281336
• PubChem CID: 56763627

CALCULATED PROPERTIES

• Acid pKa: 12.546331
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.041079
• LogD (pH = 7.4): 3.0410762
• Log P: 3.041079
• Molar Refractivity: 113.8326 cm^3
• Polarizability: 45.118748 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds