N-(3-phenylprop-2-yn-1-yl)-N-(prop-2-en-1-yl)furan-2-carboxamide

• ChemBase ID: 820303
• Molecular Formular: C17H15NO2
• Molecular Mass: 265.3065
• Monoisotopic Mass: 265.11027873
• SMILES: C(=O)(c1occc1)N(CC#Cc1ccccc1)CC=C
• Canonical SMILES: C=CCN(C(=O)c1ccco1)CC#Cc1ccccc1
• InChI: InChI=1S/C17H15NO2/c1-2-12-18(17(19)16-11-7-14-20-16)13-6-10-15-8-4-3-5-9-15/h2-5,7-9,11,14H,1,12-13H2
• InChIKey: NNXDYHLYZGXJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-phenylprop-2-yn-1-yl)-N-(prop-2-en-1-yl)furan-2-carboxamide
• IUPAC Traditional name: N-(3-phenylprop-2-yn-1-yl)-N-(prop-2-en-1-yl)furan-2-carboxamide
• Synonyms: N-allyl-N-(3-phenylprop-2-yn-1-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.261052
• LogD (pH = 7.4): 3.261052
• Log P: 3.261052
• Molar Refractivity: 76.7279 cm^3
• Polarizability: 29.326385 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.27
• LOG S: -3.08
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 6