N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H19F3N2O2 — CID 79261004

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CC(CO)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)15-9(17)4-14-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyXITXPRIVQLYEOW-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.66
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261004) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261004
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CC(CO)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)15-9(17)4-14-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyXITXPRIVQLYEOW-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261004) is N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)CC(CO)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XITXPRIVQLYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)3-8(5-16)15-9(17)4-14-6-10(11,12)13/h7-8,14,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.27 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).