N-[(4-acetylmorpholin-2-yl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

• ChemBase ID: 458542
• Molecular Formular: C19H24N2O4
• Molecular Mass: 344.40486
• Monoisotopic Mass: 344.17360726
• SMILES: c1(c2c(oc1)ccc(c2)CC)CC(=O)NCC1CN(C(=O)C)CCO1
• Canonical SMILES: CCc1ccc2c(c1)c(co2)CC(=O)NCC1OCCN(C1)C(=O)C
• InChI: InChI=1S/C19H24N2O4/c1-3-14-4-5-18-17(8-14)15(12-25-18)9-19(23)20-10-16-11-21(13(2)22)6-7-24-16/h4-5,8,12,16H,3,6-7,9-11H2,1-2H3,(H,20,23)
• InChIKey: UFYNYJPYXBXIBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-acetylmorpholin-2-yl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
• IUPAC Traditional name: N-[(4-acetylmorpholin-2-yl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide
• Synonyms: N-[(4-acetylmorpholin-2-yl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.405856
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2316464
• LogD (pH = 7.4): 1.2316465
• Log P: 1.2316465
• Molar Refractivity: 93.6028 cm^3
• Polarizability: 37.261917 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -3.11
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5