N-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 644399
• Molecular Formular: C16H19N3O4
• Molecular Mass: 317.33976
• Monoisotopic Mass: 317.1375561
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCc1cc2c(OC(C2)(C)C)cc1
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCc1ccc2c(c1)CC(O2)(C)C
• InChI: InChI=1S/C16H19N3O4/c1-16(2)7-10-5-9(3-4-12(10)23-16)8-17-13(20)6-11-14(21)19-15(22)18-11/h3-5,11H,6-8H2,1-2H3,(H,17,20)(H2,18,19,21,22)
• InChIKey: HZSVJVNVONKDSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.626419
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.19727528
• LogD (pH = 7.4): 0.19476591
• Log P: 0.19730736
• Molar Refractivity: 81.7367 cm^3
• Polarizability: 31.57805 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.16
• LOG S: -2.96
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 4