N-methyl-2-[2-(oxolan-2-ylmethyl)phenoxy]acetamide

• ChemBase ID: 581734
• Molecular Formular: C14H19NO3
• Molecular Mass: 249.30556
• Monoisotopic Mass: 249.13649347
• SMILES: C(=O)(COc1c(CC2OCCC2)cccc1)NC
• Canonical SMILES: CNC(=O)COc1ccccc1CC1CCCO1
• InChI: InChI=1S/C14H19NO3/c1-15-14(16)10-18-13-7-3-2-5-11(13)9-12-6-4-8-17-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16)
• InChIKey: ZDTIKLQUCCWXJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[2-(oxolan-2-ylmethyl)phenoxy]acetamide
• IUPAC Traditional name: N-methyl-2-[2-(oxolan-2-ylmethyl)phenoxy]acetamide
• Synonyms: N-methyl-2-[2-(tetrahydrofuran-2-ylmethyl)phenoxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.333754
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3402938
• LogD (pH = 7.4): 1.3402938
• Log P: 1.3402938
• Molar Refractivity: 68.858 cm^3
• Polarizability: 26.83495 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.16
• LOG S: -2.01
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 5