N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxopiperidin-1-yl)propanamide

• ChemBase ID: 324027
• Molecular Formular: C18H25ClN2O3
• Molecular Mass: 352.8557
• Monoisotopic Mass: 352.15537035
• SMILES: N1(C(=O)CCCC1)CCC(=O)N(Cc1c(Cl)cccc1)CCOC
• Canonical SMILES: COCCN(C(=O)CCN1CCCCC1=O)Cc1ccccc1Cl
• InChI: InChI=1S/C18H25ClN2O3/c1-24-13-12-21(14-15-6-2-3-7-16(15)19)18(23)9-11-20-10-5-4-8-17(20)22/h2-3,6-7H,4-5,8-14H2,1H3
• InChIKey: FYIXPBUPCZKBFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxopiperidin-1-yl)propanamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-(2-oxopiperidin-1-yl)propanamide
• Synonyms: N-(2-chlorobenzyl)-N-(2-methoxyethyl)-3-(2-oxopiperidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7255832
• LogD (pH = 7.4): 1.7255833
• Log P: 1.7255833
• Molar Refractivity: 94.6161 cm^3
• Polarizability: 36.69901 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.2
• LOG S: -3.65
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8