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

• ChemBase ID: 579747
• Molecular Formular: C23H35NO3
• Molecular Mass: 373.5289
• Monoisotopic Mass: 373.26169399
• SMILES: C(=O)(N(Cc1cc(OC(C)C)c(cc1)OC)C1CCCC1)CC1CCCC1
• Canonical SMILES: COc1ccc(cc1OC(C)C)CN(C(=O)CC1CCCC1)C1CCCC1
• InChI: InChI=1S/C23H35NO3/c1-17(2)27-22-14-19(12-13-21(22)26-3)16-24(20-10-6-7-11-20)23(25)15-18-8-4-5-9-18/h12-14,17-18,20H,4-11,15-16H2,1-3H3
• InChIKey: FMBUJPNPSXQHAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8118124
• LogD (pH = 7.4): 4.8118143
• Log P: 4.8118143
• Molar Refractivity: 108.5552 cm^3
• Polarizability: 42.735863 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.02
• LOG S: -5.02
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6