N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C16H23F3N2O3 — CID 111485235

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C16H23F3N2O3/c1-11(2)6-7-15(3,24)10-20-13(22)9-21-8-4-5-12(14(21)23)16(17,18)19/h4-5,8,11,24H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyWPXBMKMEXCGJAR-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.17
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111485235) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111485235
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)CCC(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C16H23F3N2O3/c1-11(2)6-7-15(3,24)10-20-13(22)9-21-8-4-5-12(14(21)23)16(17,18)19/h4-5,8,11,24H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyWPXBMKMEXCGJAR-UHFFFAOYSA-N
XLogP2.17
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111485235) is N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)CCC(C)(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is WPXBMKMEXCGJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c1-11(2)6-7-15(3,24)10-20-13(22)9-21-8-4-5-12(14(21)23)16(17,18)19/h4-5,8,11,24H,6-7,9-10H2,1-3H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111485235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).