2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O2 — CID 102698001

IUPAC2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC(C)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(15-2)3-12-4-7(14)13-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyTVMQBUXAIIWDKQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.29
Rot. Bonds6

About 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102698001) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102698001
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC(C)CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-6(15-2)3-12-4-7(14)13-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyTVMQBUXAIIWDKQ-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

N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
2-(2-methoxypropylamino)-N-pentan-2-ylacetamide
CID 102697868
2-(2-methoxypropylamino)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 67967678
4-methyl-6-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]hexanoic acid
CID 65287156
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 102698001) is 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is COC(C)CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TVMQBUXAIIWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(15-2)3-12-4-7(14)13-5-8(9,10)11/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)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 2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102698001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).