N-(1-carbamoylcyclopentyl)-5-(methoxymethyl)furan-2-carboxamide

• ChemBase ID: 564629
• Molecular Formular: C13H18N2O4
• Molecular Mass: 266.29302
• Monoisotopic Mass: 266.12665707
• SMILES: c1(C(=O)NC2(C(=O)N)CCCC2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)NC1(CCCC1)C(=O)N
• InChI: InChI=1S/C13H18N2O4/c1-18-8-9-4-5-10(19-9)11(16)15-13(12(14)17)6-2-3-7-13/h4-5H,2-3,6-8H2,1H3,(H2,14,17)(H,15,16)
• InChIKey: TUHNWBLLJJTNTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-5-(methoxymethyl)furan-2-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-5-(methoxymethyl)furan-2-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-5-(methoxymethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.604239
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.15747635
• LogD (pH = 7.4): 0.15747401
• Log P: 0.1574764
• Molar Refractivity: 68.2284 cm^3
• Polarizability: 26.028616 Å^3
• Polar Surface Area: 94.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.48
• LOG S: -2.04
• Polar Surface Area: 94.56 Å^2
• Rotatable Bonds: 5