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

• ChemBase ID: 225350
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: c1(cn(c2c1cccc2)CCC(=O)Nc1c2ccn(c2ccc1)CCOC)C(=O)C
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)CCn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C24H25N3O3/c1-17(28)20-16-27(22-8-4-3-6-18(20)22)13-11-24(29)25-21-7-5-9-23-19(21)10-12-26(23)14-15-30-2/h3-10,12,16H,11,13-15H2,1-2H3,(H,25,29)
• InChIKey: CTKRVVHVCPAKHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281260
• PubChem CID: 56763558

CALCULATED PROPERTIES

• Acid pKa: 13.197618
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.278092
• LogD (pH = 7.4): 3.2780912
• Log P: 3.278092
• Molar Refractivity: 118.532 cm^3
• Polarizability: 46.96512 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds