N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(morpholin-3-yl)acetamide

• ChemBase ID: 669077
• Molecular Formular: C16H20N4O4
• Molecular Mass: 332.3544
• Monoisotopic Mass: 332.14845514
• SMILES: N1(C(=O)N(CC1=O)C)c1cc(NC(=O)CC2NCCOC2)ccc1
• Canonical SMILES: O=C(Nc1cccc(c1)N1C(=O)CN(C1=O)C)CC1NCCOC1
• InChI: InChI=1S/C16H20N4O4/c1-19-9-15(22)20(16(19)23)13-4-2-3-11(7-13)18-14(21)8-12-10-24-6-5-17-12/h2-4,7,12,17H,5-6,8-10H2,1H3,(H,18,21)
• InChIKey: PCYPLNYODDDQMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-(morpholin-3-yl)acetamide
• Synonyms: N-[3-(3-methyl-2,5-dioxo-1-imidazolidinyl)phenyl]-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.913823
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8089414
• LogD (pH = 7.4): -1.0924563
• Log P: -0.5204696
• Molar Refractivity: 87.0585 cm^3
• Polarizability: 33.171673 Å^3
• Polar Surface Area: 90.98 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: -1.84
• LOG S: -1.36
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 4