2-(2,4-dichlorophenoxy)-N-methyl-N-[3-(oxolan-2-yl)propyl]acetamide

• ChemBase ID: 571282
• Molecular Formular: C16H21Cl2NO3
• Molecular Mass: 346.24884
• Monoisotopic Mass: 345.0898489
• SMILES: C(=O)(N(CCCC1OCCC1)C)COc1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)OCC(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C16H21Cl2NO3/c1-19(8-2-4-13-5-3-9-21-13)16(20)11-22-15-7-6-12(17)10-14(15)18/h6-7,10,13H,2-5,8-9,11H2,1H3
• InChIKey: RASYFXMIOHHRMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-(oxolan-2-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-(oxolan-2-yl)propyl]acetamide
• Synonyms: 2-(2,4-dichlorophenoxy)-N-methyl-N-[3-(tetrahydro-2-furanyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.61542
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.137968
• LogD (pH = 7.4): 3.137968
• Log P: 3.137968
• Molar Refractivity: 87.5957 cm^3
• Polarizability: 34.40608 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.61
• LOG S: -3.95
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7