N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase ID: 520453
• Molecular Formular: C21H34N2O2
• Molecular Mass: 346.50686
• Monoisotopic Mass: 346.26202834
• SMILES: C(=O)(N(C1CC(NC(C1)(C)C)(C)C)C)C(Oc1cc(ccc1)C)(C)C
• Canonical SMILES: Cc1cccc(c1)OC(C(=O)N(C1CC(C)(C)NC(C1)(C)C)C)(C)C
• InChI: InChI=1S/C21H34N2O2/c1-15-10-9-11-17(12-15)25-21(6,7)18(24)23(8)16-13-19(2,3)22-20(4,5)14-16/h9-12,16,22H,13-14H2,1-8H3
• InChIKey: WAQQTNSCSXQVCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC Traditional name: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• Synonyms: N,2-dimethyl-2-(3-methylphenoxy)-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25468153
• LogD (pH = 7.4): 0.6915722
• Log P: 3.4869804
• Molar Refractivity: 102.7402 cm^3
• Polarizability: 40.56666 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.06
• LOG S: -2.91
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4