3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 468863
• Molecular Formular: C17H32N4O2
• Molecular Mass: 324.46158
• Monoisotopic Mass: 324.25252628
• SMILES: N1(C(=O)NC(C1=O)(CCC(C)C)C1CCNCC1)CCN(C)C
• Canonical SMILES: CC(CCC1(NC(=O)N(C1=O)CCN(C)C)C1CCNCC1)C
• InChI: InChI=1S/C17H32N4O2/c1-13(2)5-8-17(14-6-9-18-10-7-14)15(22)21(16(23)19-17)12-11-20(3)4/h13-14,18H,5-12H2,1-4H3,(H,19,23)
• InChIKey: BYIRTSWTQQREEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.004461
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.8750715
• LogD (pH = 7.4): -2.457971
• Log P: 1.1475897
• Molar Refractivity: 91.6695 cm^3
• Polarizability: 36.0558 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.96
• LOG S: -3.24
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7