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

• ChemBase ID: 831628
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N(CC1=CCN(CC1)C)CC)CCOC
• Canonical SMILES: COCCC(=O)N(CC1=CCN(CC1)C)CC
• InChI: InChI=1S/C13H24N2O2/c1-4-15(13(16)7-10-17-3)11-12-5-8-14(2)9-6-12/h5H,4,6-11H2,1-3H3
• InChIKey: VLWNPNKZJYDWNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methoxy-N-[(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]propanamide
• IUPAC Traditional name: N-ethyl-3-methoxy-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]propanamide
• Synonyms: N-ethyl-3-methoxy-N-[(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.6530275
• LogD (pH = 7.4): -0.88981813
• Log P: 0.15245153
• Molar Refractivity: 71.0488 cm^3
• Polarizability: 27.12928 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.37
• LOG S: -1.27
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6