N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 553984
• Molecular Formular: C18H20N2O
• Molecular Mass: 280.3642
• Monoisotopic Mass: 280.15756327
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)Cc1cnccc1
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)Cc1cccnc1
• InChI: InChI=1S/C18H20N2O/c1-20(18(21)12-14-6-5-11-19-13-14)17-10-4-8-15-7-2-3-9-16(15)17/h2-3,5-7,9,11,13,17H,4,8,10,12H2,1H3
• InChIKey: ZDEDDYZHOQVHBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: N-methyl-2-(3-pyridinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6659634
• LogD (pH = 7.4): 2.7458503
• Log P: 2.746997
• Molar Refractivity: 83.6187 cm^3
• Polarizability: 32.322445 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.28
• LOG S: -1.89
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3