N-[1-(furan-2-yl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

• ChemBase ID: 625353
• Molecular Formular: C13H19NO3
• Molecular Mass: 237.29486
• Monoisotopic Mass: 237.13649347
• SMILES: C(=O)(C1(COC)CCC1)NC(c1occc1)C
• Canonical SMILES: COCC1(CCC1)C(=O)NC(c1ccco1)C
• InChI: InChI=1S/C13H19NO3/c1-10(11-5-3-8-17-11)14-12(15)13(9-16-2)6-4-7-13/h3,5,8,10H,4,6-7,9H2,1-2H3,(H,14,15)
• InChIKey: XPPLVPYPSUNZRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
• IUPAC Traditional name: N-[1-(furan-2-yl)ethyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
• Synonyms: N-[1-(2-furyl)ethyl]-1-(methoxymethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.009651
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5374169
• LogD (pH = 7.4): 1.5374161
• Log P: 1.537417
• Molar Refractivity: 63.812 cm^3
• Polarizability: 24.9543 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.51
• LOG S: -2.23
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 5