N-cyclopentyl-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 476531
• Molecular Formular: C18H27NO3
• Molecular Mass: 305.41188
• Monoisotopic Mass: 305.19909373
• SMILES: N(C(=O)C)(Cc1cc(OC(C)C)c(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(cc1OC(C)C)CN(C1CCCC1)C(=O)C
• InChI: InChI=1S/C18H27NO3/c1-13(2)22-18-11-15(9-10-17(18)21-4)12-19(14(3)20)16-7-5-6-8-16/h9-11,13,16H,5-8,12H2,1-4H3
• InChIKey: HMJSJDFYKQFGSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-cyclopentyl-N-[(3-isopropoxy-4-methoxyphenyl)methyl]acetamide
• Synonyms: N-cyclopentyl-N-(3-isopropoxy-4-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9542792
• LogD (pH = 7.4): 2.9542792
• Log P: 2.9542792
• Molar Refractivity: 87.3789 cm^3
• Polarizability: 34.254177 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -2.57
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4