2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide

C8H14F3N3O2 — CID 115605721

IUPAC2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-14(4-6(15)12-2)7(16)13-5-8(9,10)11/h3-5H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyGLLYUFSIOQXLMK-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.33
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide

2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide (PubChem CID 115605721) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide
PubChem CID115605721
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-3-14(4-6(15)12-2)7(16)13-5-8(9,10)11/h3-5H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyGLLYUFSIOQXLMK-UHFFFAOYSA-N
XLogP0.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2-[(2-amino-2-oxoethyl)[(methylamino)carbonyl]amino]-N-methyl-
CID 373585
Acetamide, 2-[(aminocarbonyl)(2-amino-2-oxoethyl)amino]-N-methyl-
CID 373586
Acetamide, 2,2'-[[(methylamino)carbonyl]imino]bis[N-methyl-
CID 373587
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 16231602
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
N-(2-(Dimethylamino)-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 62733545
2-[formyl(methyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64992247
2,2,2-trifluoro-N-[2-[methyl-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 85741815
N-[2-(aminomethylamino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 87061158
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide (CID 115605721) is 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide is CCN(CC(=O)NC)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide?
The InChIKey is GLLYUFSIOQXLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-3-14(4-6(15)12-2)7(16)13-5-8(9,10)11/h3-5H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide?
2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide has a molecular weight of 241.21 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethylcarbamoyl)amino]-N-methylacetamide is sourced from PubChem (CID 115605721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).