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

• ChemBase ID: 577652
• Molecular Formular: C14H19NO4
• Molecular Mass: 265.30496
• Monoisotopic Mass: 265.13140809
• SMILES: C(=O)(NCC1OCCOC1)COCc1ccccc1
• Canonical SMILES: O=C(NCC1COCCO1)COCc1ccccc1
• InChI: InChI=1S/C14H19NO4/c16-14(15-8-13-10-17-6-7-19-13)11-18-9-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,15,16)
• InChIKey: QNSWTVKMWCBZBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.232067
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.53803045
• LogD (pH = 7.4): 0.5380304
• Log P: 0.53803045
• Molar Refractivity: 70.2168 cm^3
• Polarizability: 27.636263 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.71
• LOG S: -1.74
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 6