N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 79377023

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)8(16)5-14-6-10(11,12)13/h14,17H,4-7H2,1-3H3
InChIKeyJAKPKCMSUNXELT-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.76
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79377023) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79377023
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)8(16)5-14-6-10(11,12)13/h14,17H,4-7H2,1-3H3
InChIKeyJAKPKCMSUNXELT-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79377023) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCN(CC(C)(C)O)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JAKPKCMSUNXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-15(7-9(2,3)17)8(16)5-14-6-10(11,12)13/h14,17H,4-7H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79377023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).