N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-methoxybenzamide

• ChemBase ID: 707775
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: C(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C23H27NO3/c1-26-22-8-3-2-7-21(22)23(25)24(19-11-12-19)15-17-9-13-20(14-10-17)27-16-18-5-4-6-18/h2-3,7-10,13-14,18-19H,4-6,11-12,15-16H2,1H3
• InChIKey: AQGPKLPDTGRTHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-methoxybenzamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2-methoxybenzamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3710794
• LogD (pH = 7.4): 4.3710794
• Log P: 4.3710794
• Molar Refractivity: 106.223 cm^3
• Polarizability: 41.06315 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: 4.82
• LOG S: -5.19
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7