N-cyclopropyl-4-[(dipropylamino)methyl]-N-(oxan-4-yl)benzamide

• ChemBase ID: 323110
• Molecular Formular: C22H34N2O2
• Molecular Mass: 358.51756
• Monoisotopic Mass: 358.26202834
• SMILES: C(=O)(N(C1CC1)C1CCOCC1)c1ccc(CN(CCC)CCC)cc1
• Canonical SMILES: CCCN(Cc1ccc(cc1)C(=O)N(C1CC1)C1CCOCC1)CCC
• InChI: InChI=1S/C22H34N2O2/c1-3-13-23(14-4-2)17-18-5-7-19(8-6-18)22(25)24(20-9-10-20)21-11-15-26-16-12-21/h5-8,20-21H,3-4,9-17H2,1-2H3
• InChIKey: DXTKZZRLQHRGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-[(dipropylamino)methyl]-N-(oxan-4-yl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-[(dipropylamino)methyl]-N-(oxan-4-yl)benzamide
• Synonyms: N-cyclopropyl-4-[(dipropylamino)methyl]-N-(tetrahydro-2H-pyran-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.024443934
• LogD (pH = 7.4): 1.1206151
• Log P: 3.3980463
• Molar Refractivity: 107.7044 cm^3
• Polarizability: 41.54509 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -3.99
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 9