N,2,4,5-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide

• ChemBase ID: 486048
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: c1(C(=O)N(CCN2C(=O)CCCC2)C)cc(c(cc1C)C)C
• Canonical SMILES: O=C1CCCCN1CCN(C(=O)c1cc(C)c(cc1C)C)C
• InChI: InChI=1S/C18H26N2O2/c1-13-11-15(3)16(12-14(13)2)18(22)19(4)9-10-20-8-6-5-7-17(20)21/h11-12H,5-10H2,1-4H3
• InChIKey: AVKKYJYDUSVKBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,4,5-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: N,2,4,5-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
• Synonyms: N,2,4,5-tetramethyl-N-[2-(2-oxo-1-piperidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7286127
• LogD (pH = 7.4): 2.728613
• Log P: 2.728613
• Molar Refractivity: 89.84 cm^3
• Polarizability: 33.664 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.83
• LOG S: -2.89
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4