N-(2-ethoxyethyl)-3-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 520799
• Molecular Formular: C15H21NO3
• Molecular Mass: 263.33214
• Monoisotopic Mass: 263.15214354
• SMILES: C(=O)(c1cc(OCC(=C)C)ccc1)NCCOCC
• Canonical SMILES: CCOCCNC(=O)c1cccc(c1)OCC(=C)C
• InChI: InChI=1S/C15H21NO3/c1-4-18-9-8-16-15(17)13-6-5-7-14(10-13)19-11-12(2)3/h5-7,10H,2,4,8-9,11H2,1,3H3,(H,16,17)
• InChIKey: SRBNTZCLFKJWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyethyl)-3-[(2-methylprop-2-en-1-yl)oxy]benzamide
• IUPAC Traditional name: N-(2-ethoxyethyl)-3-[(2-methylprop-2-en-1-yl)oxy]benzamide
• Synonyms: N-(2-ethoxyethyl)-3-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.568826
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1743343
• LogD (pH = 7.4): 2.1743345
• Log P: 2.1743345
• Molar Refractivity: 75.7331 cm^3
• Polarizability: 29.017294 Å^3
• Polar Surface Area: 47.56 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: 2.83
• LOG S: -3.54
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8