N-cyclopentyl-4-methyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide

• ChemBase ID: 319290
• Molecular Formular: C25H31NO3
• Molecular Mass: 393.51854
• Monoisotopic Mass: 393.23039386
• SMILES: C(=O)(N(Cc1cc(OCC2(COC2)C)ccc1)C1CCCC1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(C1CCCC1)Cc1cccc(c1)OCC1(C)COC1
• InChI: InChI=1S/C25H31NO3/c1-19-10-12-21(13-11-19)24(27)26(22-7-3-4-8-22)15-20-6-5-9-23(14-20)29-18-25(2)16-28-17-25/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3
• InChIKey: LFIBUDMMIJBCCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-methyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopentyl-4-methyl-N-({3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopentyl-4-methyl-N-{3-[(3-methyl-3-oxetanyl)methoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9286284
• LogD (pH = 7.4): 4.9286284
• Log P: 4.9286284
• Molar Refractivity: 115.6416 cm^3
• Polarizability: 44.686058 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.33
• LOG S: -5.26
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7