2-{[1-(4-methoxyphenyl)cyclopentyl]formamido}-N,N-dimethylpropanamide

• ChemBase ID: 498758
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: C(=O)(C1(c2ccc(cc2)OC)CCCC1)NC(C(=O)N(C)C)C
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)C(=O)NC(C(=O)N(C)C)C
• InChI: InChI=1S/C18H26N2O3/c1-13(16(21)20(2)3)19-17(22)18(11-5-6-12-18)14-7-9-15(23-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)
• InChIKey: YBOTWNSHPQLWHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(4-methoxyphenyl)cyclopentyl]formamido}-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-{[1-(4-methoxyphenyl)cyclopentyl]formamido}-N,N-dimethylpropanamide
• Synonyms: N-[2-(dimethylamino)-1-methyl-2-oxoethyl]-1-(4-methoxyphenyl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.714043
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0816252
• LogD (pH = 7.4): 2.0816236
• Log P: 2.0816255
• Molar Refractivity: 89.2171 cm^3
• Polarizability: 34.790215 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -3.19
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5