2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 62337065

IUPAC2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNCCOCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-13-4-5-16-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyCFTQTQRWMHZFTD-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds8

About 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62337065) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62337065
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCNCCOCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-2-3-13-4-5-16-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyCFTQTQRWMHZFTD-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62335943
2-[2-(propylamino)ethoxy]acetamide
CID 62336867
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
N-(3-methylbutan-2-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 62337444
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-[2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetamide
CID 103816384
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
CID 62659177
N-[2-[2-[2-[2-[2-[2-(2,2-dimethylpropylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727684
2-(bromomethoxy)-N-propylacetamide
CID 140767535
N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]-2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetamide
CID 58421298
N-(oxan-4-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 55182455

Frequently Asked Questions

What is the IUPAC name of 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 62337065) is 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide is CCCNCCOCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CFTQTQRWMHZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-3-13-4-5-16-6-8(15)14-7-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62337065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).