N-[4-(furan-2-yl)butan-2-yl]-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 616361
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: C(=O)(NC(CCc1occc1)C)c1ccc(OCC(=C)C)cc1
• Canonical SMILES: CC(=C)COc1ccc(cc1)C(=O)NC(CCc1ccco1)C
• InChI: InChI=1S/C19H23NO3/c1-14(2)13-23-18-10-7-16(8-11-18)19(21)20-15(3)6-9-17-5-4-12-22-17/h4-5,7-8,10-12,15H,1,6,9,13H2,2-3H3,(H,20,21)
• InChIKey: ANAIRBKJXMQSLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]-4-[(2-methylprop-2-en-1-yl)oxy]benzamide
• Synonyms: N-[3-(2-furyl)-1-methylpropyl]-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.158585
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6431189
• LogD (pH = 7.4): 3.643119
• Log P: 3.643119
• Molar Refractivity: 90.8733 cm^3
• Polarizability: 34.78123 Å^3
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.2
• LOG S: -5.07
• Polar Surface Area: 51.47 Å^2
• Rotatable Bonds: 8