N-[3-(1H-imidazol-1-yl)propyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

• ChemBase ID: 845182
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: N1(C(=O)CC(C1)c1ccccc1)CC(=O)NCCCn1cncc1
• Canonical SMILES: O=C(CN1CC(CC1=O)c1ccccc1)NCCCn1cncc1
• InChI: InChI=1S/C18H22N4O2/c23-17(20-7-4-9-21-10-8-19-14-21)13-22-12-16(11-18(22)24)15-5-2-1-3-6-15/h1-3,5-6,8,10,14,16H,4,7,9,11-13H2,(H,20,23)
• InChIKey: MFLBUMBCXJWXAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4099655
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.52838916
• LogD (pH = 7.4): -0.064218365
• Log P: 0.004446981
• Molar Refractivity: 91.3306 cm^3
• Polarizability: 35.002842 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.28
• LOG S: -3.13
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7