2-[2,5-dioxo-4-(2-phenylethyl)-4-(piperidin-4-yl)imidazolidin-1-yl]-N-ethylacetamide

• ChemBase ID: 783628
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: N1(C(=O)NC(C1=O)(CCc1ccccc1)C1CCNCC1)CC(=O)NCC
• Canonical SMILES: CCNC(=O)CN1C(=O)NC(C1=O)(CCc1ccccc1)C1CCNCC1
• InChI: InChI=1S/C20H28N4O3/c1-2-22-17(25)14-24-18(26)20(23-19(24)27,16-9-12-21-13-10-16)11-8-15-6-4-3-5-7-15/h3-7,16,21H,2,8-14H2,1H3,(H,22,25)(H,23,27)
• InChIKey: FPKLAYGQSRPISG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2,5-dioxo-4-(2-phenylethyl)-4-(piperidin-4-yl)imidazolidin-1-yl]-N-ethylacetamide
• IUPAC Traditional name: 2-[2,5-dioxo-4-(2-phenylethyl)-4-(piperidin-4-yl)imidazolidin-1-yl]-N-ethylacetamide
• Synonyms: 2-[2,5-dioxo-4-(2-phenylethyl)-4-piperidin-4-ylimidazolidin-1-yl]-N-ethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.668791
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.3461642
• LogD (pH = 7.4): -1.6762269
• Log P: 0.73717606
• Molar Refractivity: 102.1479 cm^3
• Polarizability: 39.817963 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.55
• LOG S: -3.24
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 7