N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide

• ChemBase ID: 570355
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(C1(COC)CCC1)N(Cc1c(c(c(cn1)C)OC)C)C
• Canonical SMILES: COCC1(CCC1)C(=O)N(Cc1ncc(c(c1C)OC)C)C
• InChI: InChI=1S/C17H26N2O3/c1-12-9-18-14(13(2)15(12)22-5)10-19(3)16(20)17(11-21-4)7-6-8-17/h9H,6-8,10-11H2,1-5H3
• InChIKey: KZYYCJPMEGGZJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• IUPAC Traditional name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutane-1-carboxamide
• Synonyms: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-1-(methoxymethyl)-N-methylcyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0664772
• LogD (pH = 7.4): 1.9603286
• Log P: 2.0172424
• Molar Refractivity: 85.7655 cm^3
• Polarizability: 33.226994 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.11
• LOG S: -3.24
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 6