2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O2 — CID 79473764

IUPAC2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COCCN
InChIInChI=1S/C9H17F3N2O2/c1-2-4-14(7-9(10,11)12)8(15)6-16-5-3-13/h2-7,13H2,1H3
InChIKeyYPPSUBMRGUXIGU-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.76
Rot. Bonds7

About 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79473764) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79473764
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)COCCN
InChIInChI=1S/C9H17F3N2O2/c1-2-4-14(7-9(10,11)12)8(15)6-16-5-3-13/h2-7,13H2,1H3
InChIKeyYPPSUBMRGUXIGU-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
2-(2-aminoethoxy)-N-propan-2-yl-N-propylacetamide
CID 79479983
N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60756977
2-(2-aminoethoxy)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79473073
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212161
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
2-(2-aminoethoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 79473023
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 79473764) is 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YPPSUBMRGUXIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-2-4-14(7-9(10,11)12)8(15)6-16-5-3-13/h2-7,13H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79473764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).