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

• ChemBase ID: 217835
• Molecular Formular: C23H24N4O3
• Molecular Mass: 404.46166
• Monoisotopic Mass: 404.18484065
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NCc1ccccc1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2)NCc1ccccc1
• InChI: InChI=1S/C23H24N4O3/c28-21(25-14-16-6-2-1-3-7-16)11-10-20-22(29)27(23(30)26-20)13-12-17-15-24-19-9-5-4-8-18(17)19/h1-9,15,20,24H,10-14H2,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: DMRZDFHAKKDODL-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273745
• PubChem CID: 16407826

CALCULATED PROPERTIES

• Acid pKa: 12.037585
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.2421718
• LogD (pH = 7.4): 2.2421622
• Log P: 2.242172
• Molar Refractivity: 113.0127 cm^3
• Polarizability: 44.589508 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds