N-(1,4-dioxan-2-ylmethyl)-2-(2-methoxyphenyl)acetamide

• ChemBase ID: 638910
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: C(=O)(Cc1c(OC)cccc1)NCC1OCCOC1
• Canonical SMILES: COc1ccccc1CC(=O)NCC1COCCO1
• InChI: InChI=1S/C14H19NO4/c1-17-13-5-3-2-4-11(13)8-14(16)15-9-12-10-18-6-7-19-12/h2-5,12H,6-10H2,1H3,(H,15,16)
• InChIKey: IWSJIGJECOBMSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-2-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-2-(2-methoxyphenyl)acetamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-2-(2-methoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.347975
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6643474
• LogD (pH = 7.4): 0.6643474
• Log P: 0.6643474
• Molar Refractivity: 70.3359 cm^3
• Polarizability: 27.622524 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.16
• LOG S: -1.27
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 5