2-(furan-2-yl)-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide

• ChemBase ID: 785374
• Molecular Formular: C18H19NO3
• Molecular Mass: 297.34836
• Monoisotopic Mass: 297.13649347
• SMILES: C(=O)(C(=O)N(C/C=C/c1ccccc1)CCC)c1occc1
• Canonical SMILES: CCCN(C(=O)C(=O)c1ccco1)C/C=C/c1ccccc1
• InChI: InChI=1S/C18H19NO3/c1-2-12-19(13-6-10-15-8-4-3-5-9-15)18(21)17(20)16-11-7-14-22-16/h3-11,14H,2,12-13H2,1H3/b10-6+
• InChIKey: KKEGQDFETHRBBZ-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide
• IUPAC Traditional name: 2-(furan-2-yl)-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide
• Synonyms: 2-(2-furyl)-2-oxo-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4048629
• LogD (pH = 7.4): 3.4048629
• Log P: 3.4048629
• Molar Refractivity: 86.466 cm^3
• Polarizability: 32.61335 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.63
• LOG S: -3.62
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 7