3-(methoxymethyl)-N-[3-(propan-2-yloxy)propyl]benzamide

• ChemBase ID: 685393
• Molecular Formular: C15H23NO3
• Molecular Mass: 265.34802
• Monoisotopic Mass: 265.1677936
• SMILES: C(=O)(c1cc(COC)ccc1)NCCCOC(C)C
• Canonical SMILES: COCc1cccc(c1)C(=O)NCCCOC(C)C
• InChI: InChI=1S/C15H23NO3/c1-12(2)19-9-5-8-16-15(17)14-7-4-6-13(10-14)11-18-3/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,16,17)
• InChIKey: ZJWSCFSVBCBIIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)-N-[3-(propan-2-yloxy)propyl]benzamide
• IUPAC Traditional name: N-(3-isopropoxypropyl)-3-(methoxymethyl)benzamide
• Synonyms: N-(3-isopropoxypropyl)-3-(methoxymethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.852241
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7097058
• LogD (pH = 7.4): 1.7097061
• Log P: 1.7097061
• Molar Refractivity: 76.6765 cm^3
• Polarizability: 29.270023 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.7
• LOG S: -2.59
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8