N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H15F3N2O2 — CID 60690767

IUPACN-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(4-15-2)13-7(14)3-12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyHXUGYCZPQNLTHR-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.29
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60690767) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60690767
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC NameN-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(C)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(4-15-2)13-7(14)3-12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyHXUGYCZPQNLTHR-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

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Related Compounds

Glycine, N-[N-[N-(trifluoroacetyl)glycyl]glycyl]-, methyl ester
CID 533959
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
2,2,2-trifluoro-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 14511495
2,2,2-trifluoro-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 14511496
2-(Methoxymethyl)-1-(trifluoroacetyl)piperazine
CID 21295713
Ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
CID 23278170
N-(1-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
CID 57737704
2,2,2-trifluoro-N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]acetamide
CID 58007240
2-amino-3-methoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 81082032
2-[[2-(Ethylamino)acetyl]amino]ethyl 2,2,2-trifluoroacetate
CID 87324565

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60690767) is N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is COCC(C)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HXUGYCZPQNLTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(4-15-2)13-7(14)3-12-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide 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-(1-methoxypropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60690767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).