N-cyclopropyl-2-methoxy-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 675763
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCCN2CCCCC2)ccc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)N(C1CC1)Cc1cccc(c1)OCCN1CCCCC1
• InChI: InChI=1S/C25H32N2O3/c1-29-24-11-4-3-10-23(24)25(28)27(21-12-13-21)19-20-8-7-9-22(18-20)30-17-16-26-14-5-2-6-15-26/h3-4,7-11,18,21H,2,5-6,12-17,19H2,1H3
• InChIKey: XIUADIJTAKWOFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-methoxy-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-2-methoxy-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopropyl-2-methoxy-N-{3-[2-(1-piperidinyl)ethoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.89692986
• LogD (pH = 7.4): 2.5541048
• Log P: 4.014944
• Molar Refractivity: 119.8411 cm^3
• Polarizability: 46.275246 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.63
• LOG S: -3.91
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 8