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

• ChemBase ID: 672713
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: C(=O)(N(Cc1c2c(c(cc1)OC)cccc2)C(C)C)CC1=CCNCC1
• Canonical SMILES: COc1ccc(c2c1cccc2)CN(C(=O)CC1=CCNCC1)C(C)C
• InChI: InChI=1S/C22H28N2O2/c1-16(2)24(22(25)14-17-10-12-23-13-11-17)15-18-8-9-21(26-3)20-7-5-4-6-19(18)20/h4-10,16,23H,11-15H2,1-3H3
• InChIKey: ZBDLXTNYSDCATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxynaphthalen-1-yl)methyl]-N-(propan-2-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• IUPAC Traditional name: N-isopropyl-N-[(4-methoxynaphthalen-1-yl)methyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
• Synonyms: N-isopropyl-N-[(4-methoxy-1-naphthyl)methyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1
• Log P: 2.84
• LOG S: -4.2

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39621288
• LogD (pH = 7.4): 0.6257918
• Log P: 2.7892327
• Molar Refractivity: 106.6554 cm^3
• Polarizability: 42.426945 Å^3
• Polar Surface Area: 41.57 Å^2