N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide

• ChemBase ID: 547752
• Molecular Formular: C24H35NO3
• Molecular Mass: 385.5396
• Monoisotopic Mass: 385.26169399
• SMILES: C(=O)(N(Cc1cc(OCC2(COC2)C)ccc1)C1CCCC1)CC1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OCC1(C)COC1)CC1CCCC1
• InChI: InChI=1S/C24H35NO3/c1-24(16-27-17-24)18-28-22-12-6-9-20(13-22)15-25(21-10-4-5-11-21)23(26)14-19-7-2-3-8-19/h6,9,12-13,19,21H,2-5,7-8,10-11,14-18H2,1H3
• InChIKey: LJCSCEIVGVAOBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide
• IUPAC Traditional name: N,2-dicyclopentyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)acetamide
• Synonyms: N,2-dicyclopentyl-N-{3-[(3-methyl-3-oxetanyl)methoxy]benzyl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.418566
• LogD (pH = 7.4): 4.4185677
• Log P: 4.4185677
• Molar Refractivity: 111.1062 cm^3
• Polarizability: 43.86338 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: 4.8
• LOG S: -5.33
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8