2-[3-({methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amino}methyl)phenoxy]acetamide

• ChemBase ID: 657103
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N(C(Cc1nccc(c1)C)C)(Cc1cc(OCC(=O)N)ccc1)C
• Canonical SMILES: NC(=O)COc1cccc(c1)CN(C(Cc1nccc(c1)C)C)C
• InChI: InChI=1S/C19H25N3O2/c1-14-7-8-21-17(9-14)10-15(2)22(3)12-16-5-4-6-18(11-16)24-13-19(20)23/h4-9,11,15H,10,12-13H2,1-3H3,(H2,20,23)
• InChIKey: JBVLDWVICKZHBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-({methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amino}methyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[3-({methyl[1-(4-methylpyridin-2-yl)propan-2-yl]amino}methyl)phenoxy]acetamide
• Synonyms: 2-[3-({methyl[1-methyl-2-(4-methylpyridin-2-yl)ethyl]amino}methyl)phenoxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.523651
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1007833
• LogD (pH = 7.4): 0.4794335
• Log P: 2.1832938
• Molar Refractivity: 95.0636 cm^3
• Polarizability: 37.00956 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -1.82
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 8