3-(furan-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 838655
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: c1(C(CC(=O)NCc2cnccc2)c2ccccc2)occc1
• Canonical SMILES: O=C(CC(c1ccco1)c1ccccc1)NCc1cccnc1
• InChI: InChI=1S/C19H18N2O2/c22-19(21-14-15-6-4-10-20-13-15)12-17(18-9-5-11-23-18)16-7-2-1-3-8-16/h1-11,13,17H,12,14H2,(H,21,22)
• InChIKey: LOKDASUMTKFWNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: 3-(furan-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: 3-(2-furyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.968444
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3096738
• LogD (pH = 7.4): 2.3811991
• Log P: 2.3822129
• Molar Refractivity: 88.2527 cm^3
• Polarizability: 34.05015 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.16
• LOG S: -1.98
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6