N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-(2,4-dioxoimidazolidin-1-yl)benzamide

• ChemBase ID: 767602
• Molecular Formular: C19H23N3O5
• Molecular Mass: 373.40302
• Monoisotopic Mass: 373.16377085
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC2CC3(OCC2)CCOCC3)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C19H23N3O5/c23-16-12-22(18(25)21-16)15-3-1-13(2-4-15)17(24)20-14-5-8-27-19(11-14)6-9-26-10-7-19/h1-4,14H,5-12H2,(H,20,24)(H,21,23,25)
• InChIKey: OEOYPZOUCPNVCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-4-(2,4-dioxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.648246
• LogD (pH = 7.4): -0.6573246
• Log P: -0.6481287
• Molar Refractivity: 96.5361 cm^3
• Polarizability: 36.958538 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.24
• LOG S: -3.31
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 3