2-(dimethylamino)-N-(5-hydroxypentyl)-2-(4-methylphenyl)acetamide

• ChemBase ID: 421437
• Molecular Formular: C16H26N2O2
• Molecular Mass: 278.38984
• Monoisotopic Mass: 278.19942808
• SMILES: C(=O)(C(c1ccc(cc1)C)N(C)C)NCCCCCO
• Canonical SMILES: OCCCCCNC(=O)C(c1ccc(cc1)C)N(C)C
• InChI: InChI=1S/C16H26N2O2/c1-13-7-9-14(10-8-13)15(18(2)3)16(20)17-11-5-4-6-12-19/h7-10,15,19H,4-6,11-12H2,1-3H3,(H,17,20)
• InChIKey: KAKBAPHDHKBGBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-(5-hydroxypentyl)-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-(5-hydroxypentyl)-2-(4-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-(5-hydroxypentyl)-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.799675
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.009254048
• LogD (pH = 7.4): 1.5753318
• Log P: 1.8665261
• Molar Refractivity: 82.594 cm^3
• Polarizability: 32.017525 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.58
• LOG S: -2.58
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 8