N-(2-methoxyethyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 394936
• Molecular Formular: C21H22N2O3
• Molecular Mass: 350.41098
• Monoisotopic Mass: 350.16304257
• SMILES: C(=O)(N(Cc1ccncc1)CCOC)c1cc(c2oc(cc2)C)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(c1)c1ccc(o1)C)Cc1ccncc1
• InChI: InChI=1S/C21H22N2O3/c1-16-6-7-20(26-16)18-4-3-5-19(14-18)21(24)23(12-13-25-2)15-17-8-10-22-11-9-17/h3-11,14H,12-13,15H2,1-2H3
• InChIKey: YBNHVXSYDZMQCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-3-(5-methyl-2-furyl)-N-(pyridin-4-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5284963
• LogD (pH = 7.4): 2.6364772
• Log P: 2.6380968
• Molar Refractivity: 101.1058 cm^3
• Polarizability: 39.49385 Å^3
• Polar Surface Area: 55.57 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 2.27
• LOG S: -2.39
• Polar Surface Area: 55.57 Å^2