2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N3O3 — CID 102611251

IUPAC2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C11H18F3N3O3/c1-10(5-15-6-10)20-4-9(19)17(2)3-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18)
InChIKeyKNKWGURXSOVIJK-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.50
Rot. Bonds6

About 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102611251) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102611251
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C11H18F3N3O3/c1-10(5-15-6-10)20-4-9(19)17(2)3-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18)
InChIKeyKNKWGURXSOVIJK-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 102611251) is 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C(=O)COC1(C)CNC1.
What is the InChIKey of 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KNKWGURXSOVIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-10(5-15-6-10)20-4-9(19)17(2)3-8(18)16-7-11(12,13)14/h15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.28 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102611251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).