N-cyclopentyl-2,2-dimethyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

• ChemBase ID: 638471
• Molecular Formular: C19H27NO
• Molecular Mass: 285.42378
• Monoisotopic Mass: 285.20926449
• SMILES: C1(C(=O)N(Cc2ccc(cc2)C)C2CCCC2)C(C1)(C)C
• Canonical SMILES: Cc1ccc(cc1)CN(C(=O)C1CC1(C)C)C1CCCC1
• InChI: InChI=1S/C19H27NO/c1-14-8-10-15(11-9-14)13-20(16-6-4-5-7-16)18(21)17-12-19(17,2)3/h8-11,16-17H,4-7,12-13H2,1-3H3
• InChIKey: NTENXDMAQWAZKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2,2-dimethyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: N-cyclopentyl-2,2-dimethyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
• Synonyms: N-cyclopentyl-2,2-dimethyl-N-(4-methylbenzyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3765206
• LogD (pH = 7.4): 4.3765225
• Log P: 4.3765225
• Molar Refractivity: 86.7492 cm^3
• Polarizability: 33.959652 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.39
• LOG S: -5.03
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4