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

C8H15F3N2O3 — CID 79474134

IUPAC2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCOCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c9-8(10,11)6-13(2-3-14)7(15)5-16-4-1-12/h14H,1-6,12H2
InChIKeyDWDHVLLQAVOAEO-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.66
Rot. Bonds7

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

2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79474134) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79474134
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCCOCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c9-8(10,11)6-13(2-3-14)7(15)5-16-4-1-12/h14H,1-6,12H2
InChIKeyDWDHVLLQAVOAEO-UHFFFAOYSA-N
XLogP-0.66
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.66
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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Related Compounds

2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79473764
N-butyl-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
CID 113227401
N-(2-hydroxyethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 107483398
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 79203920
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103857573
2-(2-aminoethoxy)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79473073
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 61115959
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 115448195

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 79474134) is 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is NCCOCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DWDHVLLQAVOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c9-8(10,11)6-13(2-3-14)7(15)5-16-4-1-12/h14H,1-6,12H2.
What are the key properties of 2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 244.21 g/mol, XLogP of -0.66, 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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79474134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).