2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C12H21F3N2O3 — CID 79474078

IUPAC2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESNCCOCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)8-20-10-3-1-2-9(6-10)17-11(18)7-19-5-4-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyHUMNUKJRYBPCLH-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.97
Rot. Bonds7

About 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 79474078) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID79474078
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESNCCOCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O3/c13-12(14,15)8-20-10-3-1-2-9(6-10)17-11(18)7-19-5-4-16/h9-10H,1-8,16H2,(H,17,18)
InChIKeyHUMNUKJRYBPCLH-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 79474078) is 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is NCCOCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is HUMNUKJRYBPCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c13-12(14,15)8-20-10-3-1-2-9(6-10)17-11(18)7-19-5-4-16/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 298.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 79474078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).