N-methyl-1-[(4-methylphenyl)amino]-N-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxamide

• ChemBase ID: 570548
• Molecular Formular: C21H32N2O2
• Molecular Mass: 344.49098
• Monoisotopic Mass: 344.24637827
• SMILES: C1(C(=O)N(CCCC2OCCC2)C)(Nc2ccc(cc2)C)CCCC1
• Canonical SMILES: Cc1ccc(cc1)NC1(CCCC1)C(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C21H32N2O2/c1-17-9-11-18(12-10-17)22-21(13-3-4-14-21)20(24)23(2)15-5-7-19-8-6-16-25-19/h9-12,19,22H,3-8,13-16H2,1-2H3
• InChIKey: SSUWGHUCBPEIQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(4-methylphenyl)amino]-N-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxamide
• IUPAC Traditional name: N-methyl-1-[(4-methylphenyl)amino]-N-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxamide
• Synonyms: N-methyl-1-[(4-methylphenyl)amino]-N-[3-(tetrahydrofuran-2-yl)propyl]cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.114326
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6560302
• LogD (pH = 7.4): 3.6565914
• Log P: 3.6565986
• Molar Refractivity: 103.2109 cm^3
• Polarizability: 39.458633 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.72
• LOG S: -4.89
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7