3-(3-acetyl-1H-indol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 225434
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: c1(cn(c2c1cccc2)CCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)C(=O)C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CCn1cc(c3c1cccc3)C(=O)C)c[nH]2
• InChI: InChI=1S/C24H25N3O3/c1-16(28)21-15-27(23-6-4-3-5-19(21)23)12-10-24(29)25-11-9-17-14-26-22-8-7-18(30-2)13-20(17)22/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29)
• InChIKey: KJAMNRYTQMMBIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-acetyl-1H-indol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(3-acetylindol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164281344
• PubChem CID: 56763635

CALCULATED PROPERTIES

• Acid pKa: 15.402456
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.939286
• LogD (pH = 7.4): 2.939286
• Log P: 2.939286
• Molar Refractivity: 116.8642 cm^3
• Polarizability: 47.039524 Å^3
• Polar Surface Area: 76.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds