3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide

• ChemBase ID: 217890
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(cc1)C)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Nc1ccc(cc1)C)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H24N4O3/c1-15-6-8-17(9-7-15)25-21(28)11-10-20-22(29)27(23(30)26-20)13-12-16-14-24-19-5-3-2-4-18(16)19/h2-9,14,20,24H,10-13H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: AIRLRNGTPKELRG-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide
• IUPAC Traditional name: 3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methylphenyl)propanamide

Database IDs

• PubChem SID: 164273800
• PubChem CID: 16407879

CALCULATED PROPERTIES

• Acid pKa: 11.918642
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.0486887
• LogD (pH = 7.4): 3.0486758
• Log P: 3.0486887
• Molar Refractivity: 114.9997 cm^3
• Polarizability: 44.50274 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds