N-(furan-2-ylmethyl)-2-(morpholin-4-yl)benzamide

• ChemBase ID: 842665
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: c1(c(N2CCOCC2)cccc1)C(=O)NCc1occc1
• Canonical SMILES: O=C(c1ccccc1N1CCOCC1)NCc1ccco1
• InChI: InChI=1S/C16H18N2O3/c19-16(17-12-13-4-3-9-21-13)14-5-1-2-6-15(14)18-7-10-20-11-8-18/h1-6,9H,7-8,10-12H2,(H,17,19)
• InChIKey: MWNVAIWSXLMWDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(morpholin-4-yl)benzamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(morpholin-4-yl)benzamide
• Synonyms: N-(2-furylmethyl)-2-(4-morpholinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059658
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7218251
• LogD (pH = 7.4): 1.7218254
• Log P: 1.7218254
• Molar Refractivity: 80.5397 cm^3
• Polarizability: 29.9423 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.02
• LOG S: -3.43
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 4