N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H15F3N2O3 — CID 79261186

IUPACN-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOC(CNC(=O)CNCC(F)(F)F)OC
InChIInChI=1S/C8H15F3N2O3/c1-15-7(16-2)4-13-6(14)3-12-5-8(9,10)11/h7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyYMGRRRSWKJNCRG-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.13
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261186) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261186
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC NameN-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOC(CNC(=O)CNCC(F)(F)F)OC
InChIInChI=1S/C8H15F3N2O3/c1-15-7(16-2)4-13-6(14)3-12-5-8(9,10)11/h7,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyYMGRRRSWKJNCRG-UHFFFAOYSA-N
XLogP-0.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide 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

Glycine, N-[N-[N-(trifluoroacetyl)glycyl]glycyl]-, methyl ester
CID 533959
N-(2,2-Dimethoxy-ethyl)-2,2,2-trifluoro-acetamide
CID 59882303
N-[2-(1-ethoxyethoxy)ethyl]-2,2,2-trifluoroacet-amide
CID 129749560
N,N'-[ethane-1,1-diylbis(oxyethane-2,1-diyl)]bis-(2,2,2-trifluoroacetamide)
CID 129749639
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
Ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
CID 23278170
2-[[2-(Ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
CID 87324565
N-(2,2-dimethoxyethyl)-2-isocyanoacetamide
CID 108814821
N-(2,2-diethoxyethyl)-2,2,2-trifluoroacetamide
CID 12663167
Ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 44721217
Methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate
CID 55028583
N-(2-aminoethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]oxamide
CID 55261828

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261186) is N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is COC(CNC(=O)CNCC(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YMGRRRSWKJNCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-15-7(16-2)4-13-6(14)3-12-5-8(9,10)11/h7,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 244.21 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).