N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C11H17F3N2O3 — CID 162613297

IUPACN-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESCN1CC(NC(=O)COC2CC(OC(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N2O3/c1-16-4-7(5-16)15-10(17)6-18-8-2-9(3-8)19-11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyNKAOAVWJTMUCLH-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.50
Rot. Bonds5

About N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 162613297) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID162613297
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESCN1CC(NC(=O)COC2CC(OC(F)(F)F)C2)C1
InChIInChI=1S/C11H17F3N2O3/c1-16-4-7(5-16)15-10(17)6-18-8-2-9(3-8)19-11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17)
InChIKeyNKAOAVWJTMUCLH-UHFFFAOYSA-N
XLogP0.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 162613297) is N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is CN1CC(NC(=O)COC2CC(OC(F)(F)F)C2)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is NKAOAVWJTMUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-16-4-7(5-16)15-10(17)6-18-8-2-9(3-8)19-11(12,13)14/h7-9H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 282.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 162613297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).