2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide

• ChemBase ID: 729572
• Molecular Formular: C17H23N5O3
• Molecular Mass: 345.39622
• Monoisotopic Mass: 345.18008962
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C)NCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C17H23N5O3/c1-10-11-6-4-5-7-12(11)20-13(19-10)8-18-14(23)9-22-15(24)17(2,3)21-16(22)25/h4-9H2,1-3H3,(H,18,23)(H,21,25)
• InChIKey: LNRHKKRXDXHKNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
• Synonyms: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.842567
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.47391847
• LogD (pH = 7.4): 0.4739002
• Log P: 0.47405714
• Molar Refractivity: 90.391 cm^3
• Polarizability: 34.496555 Å^3
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.94
• LOG S: -2.52
• Polar Surface Area: 104.29 Å^2
• Rotatable Bonds: 4