N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 571782
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(N(CCCOc1cc(cc(c1)C)C)C)COc1cnccc1
• Canonical SMILES: Cc1cc(OCCCN(C(=O)COc2cccnc2)C)cc(c1)C
• InChI: InChI=1S/C19H24N2O3/c1-15-10-16(2)12-18(11-15)23-9-5-8-21(3)19(22)14-24-17-6-4-7-20-13-17/h4,6-7,10-13H,5,8-9,14H2,1-3H3
• InChIKey: IOVQJNSHXHOWIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-(pyridin-3-yloxy)acetamide
• Synonyms: N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-(pyridin-3-yloxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.614525
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3814871
• LogD (pH = 7.4): 2.4462388
• Log P: 2.4471471
• Molar Refractivity: 93.5645 cm^3
• Polarizability: 36.164227 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.91
• LOG S: -4.93
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8