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

C9H17F3N2O2 — CID 79380355

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC(C)(C)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)7(15)4-13-5-9(10,11)12/h13,16H,4-6H2,1-3H3
InChIKeyQAYRDIYLDQZUJR-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.37
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79380355) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79380355
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC(C)(C)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)7(15)4-13-5-9(10,11)12/h13,16H,4-6H2,1-3H3
InChIKeyQAYRDIYLDQZUJR-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79380355) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CN(CC(C)(C)O)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QAYRDIYLDQZUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-8(2,16)6-14(3)7(15)4-13-5-9(10,11)12/h13,16H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).