N-[2-(furan-2-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 558714
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: N1(CC(CC(=O)NCCc2occc2)OCC1)C(C)C
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCCc1ccco1
• InChI: InChI=1S/C15H24N2O3/c1-12(2)17-7-9-20-14(11-17)10-15(18)16-6-5-13-4-3-8-19-13/h3-4,8,12,14H,5-7,9-11H2,1-2H3,(H,16,18)
• InChIKey: QZERARKDLQPYCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[2-(2-furyl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.449049
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2919712
• LogD (pH = 7.4): 0.3775093
• Log P: 0.78122807
• Molar Refractivity: 77.272 cm^3
• Polarizability: 30.15759 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.81
• LOG S: -1.94
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6