N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 711993
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: C(=O)(N(C1CC1)Cc1cnccc1)c1cc(c(cc1)OCC=C)OCC
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N(C1CC1)Cc1cccnc1
• InChI: InChI=1S/C21H24N2O3/c1-3-12-26-19-10-7-17(13-20(19)25-4-2)21(24)23(18-8-9-18)15-16-6-5-11-22-14-16/h3,5-7,10-11,13-14,18H,1,4,8-9,12,15H2,2H3
• InChIKey: YIGUPIKGMOSYIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-ethoxy-4-(prop-2-en-1-yloxy)-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 4-(allyloxy)-N-cyclopropyl-3-ethoxy-N-(pyridin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.944066
• LogD (pH = 7.4): 3.0153093
• Log P: 3.0163188
• Molar Refractivity: 101.4344 cm^3
• Polarizability: 38.806835 Å^3
• Polar Surface Area: 51.66 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: 2.85
• LOG S: -2.91
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9