3-ethoxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(prop-2-en-1-yloxy)-N-(propan-2-yl)benzamide

• ChemBase ID: 756624
• Molecular Formular: C20H27N3O4
• Molecular Mass: 373.44608
• Monoisotopic Mass: 373.20015636
• SMILES: C(=O)(N(Cc1nnc(o1)CC)C(C)C)c1cc(c(cc1)OCC=C)OCC
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N(C(C)C)Cc1nnc(o1)CC
• InChI: InChI=1S/C20H27N3O4/c1-6-11-26-16-10-9-15(12-17(16)25-8-3)20(24)23(14(4)5)13-19-22-21-18(7-2)27-19/h6,9-10,12,14H,1,7-8,11,13H2,2-5H3
• InChIKey: MKWUOOAEINJWMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(prop-2-en-1-yloxy)-N-(propan-2-yl)benzamide
• IUPAC Traditional name: 3-ethoxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-4-(prop-2-en-1-yloxy)benzamide
• Synonyms: 4-(allyloxy)-3-ethoxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4200163
• LogD (pH = 7.4): 2.4200163
• Log P: 2.4200163
• Molar Refractivity: 104.8677 cm^3
• Polarizability: 39.176693 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.93
• LOG S: -3.57
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 10