2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide

• ChemBase ID: 554866
• Molecular Formular: C13H17N3O4
• Molecular Mass: 279.29178
• Monoisotopic Mass: 279.12190604
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1cocc1)C)C)C
• Canonical SMILES: O=C(N(Cc1cocc1)C)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C13H17N3O4/c1-14(7-9-4-5-20-8-9)11(17)6-10-12(18)16(3)13(19)15(10)2/h4-5,8,10H,6-7H2,1-3H3
• InChIKey: LOSLGSZUGQXHPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(furan-3-ylmethyl)-N-methylacetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-(3-furylmethyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.182951
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.57078785
• LogD (pH = 7.4): -0.5707879
• Log P: -0.57078785
• Molar Refractivity: 70.1104 cm^3
• Polarizability: 26.783785 Å^3
• Polar Surface Area: 74.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.35
• LOG S: -1.39
• Polar Surface Area: 74.07 Å^2
• Rotatable Bonds: 4