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

• ChemBase ID: 226494
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: c1(cn(c2c1cccc2)CCC(=O)NCCn1c2c(cc1)c(OC)ccc2)C(=O)C
• Canonical SMILES: COc1cccc2c1ccn2CCNC(=O)CCn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C24H25N3O3/c1-17(28)20-16-27(21-7-4-3-6-18(20)21)14-11-24(29)25-12-15-26-13-10-19-22(26)8-5-9-23(19)30-2/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,29)
• InChIKey: KGIKESZLQHBGNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282404
• PubChem CID: 71753659

CALCULATED PROPERTIES

• Acid pKa: 15.4316225
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9515486
• LogD (pH = 7.4): 2.9515486
• Log P: 2.9515486
• Molar Refractivity: 116.4823 cm^3
• Polarizability: 47.04449 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