3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide

• ChemBase ID: 429080
• Molecular Formular: C13H17N3O4
• Molecular Mass: 279.29178
• Monoisotopic Mass: 279.12190604
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1oc(cc1)C
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCc1ccc(o1)C
• InChI: InChI=1S/C13H17N3O4/c1-8-2-3-9(20-8)6-7-14-11(17)5-4-10-12(18)16-13(19)15-10/h2-3,10H,4-7H2,1H3,(H,14,17)(H2,15,16,18,19)
• InChIKey: MOPYJSIWOHOFNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[2-(5-methyl-2-furyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.632134
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.77366436
• LogD (pH = 7.4): -0.776141
• Log P: -0.77363265
• Molar Refractivity: 70.0679 cm^3
• Polarizability: 26.714783 Å^3
• Polar Surface Area: 100.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.61
• LOG S: -2.03
• Polar Surface Area: 100.44 Å^2
• Rotatable Bonds: 6