N-[2-(4-ethylphenoxy)ethyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

• ChemBase ID: 398531
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(CC1=CCNCC1)N(CCOc1ccc(cc1)CC)C
• Canonical SMILES: CCc1ccc(cc1)OCCN(C(=O)CC1=CCNCC1)C
• InChI: InChI=1S/C18H26N2O2/c1-3-15-4-6-17(7-5-15)22-13-12-20(2)18(21)14-16-8-10-19-11-9-16/h4-8,19H,3,9-14H2,1-2H3
• InChIKey: VZBRLHLRIZXYNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethylphenoxy)ethyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(4-ethylphenoxy)ethyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• Synonyms: N-[2-(4-ethylphenoxy)ethyl]-N-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1238346
• LogD (pH = 7.4): -0.10183015
• Log P: 2.0616107
• Molar Refractivity: 90.1564 cm^3
• Polarizability: 34.794884 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -3.56
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7