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

C12H20F3N3O3 — CID 102655902

IUPACN,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H20F3N3O3/c1-11(6-16-7-11)21-5-10(20)18(8-12(13,14)15)4-9(19)17(2)3/h16H,4-8H2,1-3H3
InChIKeyNMZWXGVUYGXAKS-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.16
Rot. Bonds6

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

N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 102655902) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID102655902
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H20F3N3O3/c1-11(6-16-7-11)21-5-10(20)18(8-12(13,14)15)4-9(19)17(2)3/h16H,4-8H2,1-3H3
InChIKeyNMZWXGVUYGXAKS-UHFFFAOYSA-N
XLogP-0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide (CID 102655902) is N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)COC1(C)CNC1.
What is the InChIKey of N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is NMZWXGVUYGXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-11(6-16-7-11)21-5-10(20)18(8-12(13,14)15)4-9(19)17(2)3/h16H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide?
N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 311.30 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 102655902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).