N,2-dimethyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide

• ChemBase ID: 410337
• Molecular Formular: C17H25NO2
• Molecular Mass: 275.3859
• Monoisotopic Mass: 275.18852905
• SMILES: C(=O)(C(c1ccccc1)(C)C)N(CC1OCCCC1)C
• Canonical SMILES: CN(C(=O)C(c1ccccc1)(C)C)CC1CCCCO1
• InChI: InChI=1S/C17H25NO2/c1-17(2,14-9-5-4-6-10-14)16(19)18(3)13-15-11-7-8-12-20-15/h4-6,9-10,15H,7-8,11-13H2,1-3H3
• InChIKey: XUCLDJXLTAMTRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
• IUPAC Traditional name: N,2-dimethyl-N-(oxan-2-ylmethyl)-2-phenylpropanamide
• Synonyms: N,2-dimethyl-2-phenyl-N-(tetrahydro-2H-pyran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2135618
• LogD (pH = 7.4): 3.213562
• Log P: 3.213562
• Molar Refractivity: 80.9124 cm^3
• Polarizability: 31.757118 Å^3
• Polar Surface Area: 29.54 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: 2.23
• LOG S: -3.11
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4