2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

C8H13F3N2O2 — CID 123793801

IUPAC2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(2)7(15)12-3-6(14)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDHZYAACKHYTWOV-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.44
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 123793801) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID123793801
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-5(2)7(15)12-3-6(14)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDHZYAACKHYTWOV-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 123793801) is 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is CC(C)C(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is DHZYAACKHYTWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-5(2)7(15)12-3-6(14)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 226.20 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 123793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).