N-cyclopropyl-N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-4-propylbenzamide

• ChemBase ID: 390985
• Molecular Formular: C20H28N2O
• Molecular Mass: 312.44912
• Monoisotopic Mass: 312.22016353
• SMILES: N(C(=O)c1ccc(cc1)CCC)(C1CC1)CC1=CCCN(C1)C
• Canonical SMILES: CCCc1ccc(cc1)C(=O)N(C1CC1)CC1=CCCN(C1)C
• InChI: InChI=1S/C20H28N2O/c1-3-5-16-7-9-18(10-8-16)20(23)22(19-11-12-19)15-17-6-4-13-21(2)14-17/h6-10,19H,3-5,11-15H2,1-2H3
• InChIKey: HVUBIGPIKKAGDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-4-propylbenzamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methyl-5,6-dihydro-2H-pyridin-3-yl)methyl]-4-propylbenzamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-4-propylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8584619
• LogD (pH = 7.4): 2.6319954
• Log P: 3.45505
• Molar Refractivity: 97.2723 cm^3
• Polarizability: 36.86898 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.3
• LOG S: -4.3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6