N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide

C8H15F3N2O2 — CID 43089172

IUPACN-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(13-5-8(9,10)11)7(14)12-3-4-15-2/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyNEEXMRAZXFCVKE-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.29
Rot. Bonds6

About N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide

N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089172) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089172
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(13-5-8(9,10)11)7(14)12-3-4-15-2/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyNEEXMRAZXFCVKE-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide 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

methyl (2S)-2-[[2-(2,2,2-trifluoroethoxycarbonylamino)acetyl]amino]propanoate
CID 164673424
N1-(2-methoxyethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585926
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
Ethyl 3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 4341681
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
N-(1-amino-1-oxopropan-2-yl)-3,3,3-trifluoropropanamide
CID 21865721
2-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700797
N-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62728423
2-amino-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082032
(S)-N-(2-aminoethyl)-2-(2,2,2-trifluoroacetamido)butanamide
CID 86654760
Glycyl-alanyl-glycine Methyl Ester Trifluoroacetate
CID 86735587

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089172) is N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide is COCCNC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is NEEXMRAZXFCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(13-5-8(9,10)11)7(14)12-3-4-15-2/h6,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide?
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 228.21 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43089172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).