2-[3-({[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amino}methyl)phenoxy]acetamide

• ChemBase ID: 532957
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: C1(C(C1)(C)C)(CN(Cc1cc(OCC(=O)N)ccc1)C)c1ccccc1
• Canonical SMILES: CN(CC1(CC1(C)C)c1ccccc1)Cc1cccc(c1)OCC(=O)N
• InChI: InChI=1S/C22H28N2O2/c1-21(2)15-22(21,18-9-5-4-6-10-18)16-24(3)13-17-8-7-11-19(12-17)26-14-20(23)25/h4-12H,13-16H2,1-3H3,(H2,23,25)
• InChIKey: LAOFGJBTXHQVGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-({[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amino}methyl)phenoxy]acetamide
• IUPAC Traditional name: 2-[3-({[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amino}methyl)phenoxy]acetamide
• Synonyms: 2-(3-{[[(2,2-dimethyl-1-phenylcyclopropyl)methyl](methyl)amino]methyl}phenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.648551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.013700051
• LogD (pH = 7.4): 1.422489
• Log P: 3.3074603
• Molar Refractivity: 104.4295 cm^3
• Polarizability: 40.953884 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.02
• LOG S: -5.2
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 8