[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate

C15H17F3N2O5 — CID 8953383

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F3N2O5/c1-9-4-3-5-10(2)13(9)25-7-12(22)24-6-11(21)20-14(23)19-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H2,19,20,21,23)
InChIKeyPWQYFTOFOKSFGZ-UHFFFAOYSA-N
MW362.30 g/mol
LogP1.61
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate (PubChem CID 8953383) has the molecular formula C15H17F3N2O5 and a molecular weight of 362.30 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate
PubChem CID8953383
Molecular FormulaC15H17F3N2O5
Molecular Weight362.30 g/mol
Exact Mass362.11
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate
SMILESCc1cccc(C)c1OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F3N2O5/c1-9-4-3-5-10(2)13(9)25-7-12(22)24-6-11(21)20-14(23)19-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H2,19,20,21,23)
InChIKeyPWQYFTOFOKSFGZ-UHFFFAOYSA-N
XLogP1.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8936389
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-(3-bromophenoxy)butanoate
CID 27337868
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054
propyl 2-(2,6-dimethylphenoxy)acetate
CID 71628034
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-iodobenzoate
CID 26734941
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 4-methyl-3-nitrobenzoate
CID 8887025
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 27528947
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26752508

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate (CID 8953383) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate is Cc1cccc(C)c1OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate?
The InChIKey is PWQYFTOFOKSFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O5/c1-9-4-3-5-10(2)13(9)25-7-12(22)24-6-11(21)20-14(23)19-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate has a molecular weight of 362.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 8953383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).