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

• ChemBase ID: 555076
• Molecular Formular: C16H23NO4
• Molecular Mass: 293.35812
• Monoisotopic Mass: 293.16270822
• SMILES: C(=O)(NCC(O)COCC)c1cc(OCC(=C)C)ccc1
• Canonical SMILES: CCOCC(CNC(=O)c1cccc(c1)OCC(=C)C)O
• InChI: InChI=1S/C16H23NO4/c1-4-20-11-14(18)9-17-16(19)13-6-5-7-15(8-13)21-10-12(2)3/h5-8,14,18H,2,4,9-11H2,1,3H3,(H,17,19)
• InChIKey: NUFWNQBUENXXOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.962566
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5439993
• LogD (pH = 7.4): 1.5439994
• Log P: 1.5439996
• Molar Refractivity: 81.6956 cm^3
• Polarizability: 31.488317 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.0
• LOG S: -3.05
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 9