4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide

C11H18F3N3O3 — CID 115294306

IUPAC4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H18F3N3O3/c1-17(6-8(18)16-7-11(12,13)14)9(19)10(15)2-4-20-5-3-10/h2-7,15H2,1H3,(H,16,18)
InChIKeyQAYJRICDIFOLKS-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.37
Rot. Bonds4

About 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide

4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide (PubChem CID 115294306) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
PubChem CID115294306
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H18F3N3O3/c1-17(6-8(18)16-7-11(12,13)14)9(19)10(15)2-4-20-5-3-10/h2-7,15H2,1H3,(H,16,18)
InChIKeyQAYJRICDIFOLKS-UHFFFAOYSA-N
XLogP-0.37
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide (CID 115294306) is 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide?
The InChIKey is QAYJRICDIFOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-17(6-8(18)16-7-11(12,13)14)9(19)10(15)2-4-20-5-3-10/h2-7,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide?
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115294306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).