N-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide

• ChemBase ID: 586354
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: C(=O)(N(Cc1cnccc1)CC=C)C1COCC1
• Canonical SMILES: C=CCN(C(=O)C1COCC1)Cc1cccnc1
• InChI: InChI=1S/C14H18N2O2/c1-2-7-16(10-12-4-3-6-15-9-12)14(17)13-5-8-18-11-13/h2-4,6,9,13H,1,5,7-8,10-11H2
• InChIKey: FMPXPMAWKOJDNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
• IUPAC Traditional name: N-(prop-2-en-1-yl)-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
• Synonyms: N-allyl-N-(pyridin-3-ylmethyl)tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7151964
• LogD (pH = 7.4): 0.78644943
• Log P: 0.7874589
• Molar Refractivity: 69.8734 cm^3
• Polarizability: 26.92946 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.18
• LOG S: -1.16
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5