N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

• ChemBase ID: 487648
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: C(=O)(C(c1ccc(cc1)C)N(C)C)NCCCOC1CCCC1
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCCCOC1CCCC1)C
• InChI: InChI=1S/C19H30N2O2/c1-15-9-11-16(12-10-15)18(21(2)3)19(22)20-13-6-14-23-17-7-4-5-8-17/h9-12,17-18H,4-8,13-14H2,1-3H3,(H,20,22)
• InChIKey: SLOSEPDIFPMKAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.779529
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0266434
• LogD (pH = 7.4): 2.6112292
• Log P: 2.9024231
• Molar Refractivity: 94.5128 cm^3
• Polarizability: 36.889713 Å^3
• Polar Surface Area: 41.57 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: 3.29
• LOG S: -4.33
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8