2-(furan-2-yl)-2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 670822
• Molecular Formular: C17H18N2O4
• Molecular Mass: 314.33582
• Monoisotopic Mass: 314.12665707
• SMILES: C(=O)(C(=O)N(Cc1ncccc1)CC1OCCC1)c1occc1
• Canonical SMILES: O=C(C(=O)c1ccco1)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C17H18N2O4/c20-16(15-7-4-10-23-15)17(21)19(12-14-6-3-9-22-14)11-13-5-1-2-8-18-13/h1-2,4-5,7-8,10,14H,3,6,9,11-12H2
• InChIKey: BLIAUWFMJIXMRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(furan-2-yl)-2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(2-furyl)-2-oxo-N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1803353
• LogD (pH = 7.4): 1.197778
• Log P: 1.1980052
• Molar Refractivity: 82.4504 cm^3
• Polarizability: 31.888023 Å^3
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.26
• LOG S: -1.28
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 6