N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H21F3N2O3 — CID 111480018

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-10(21)7-14(2,3)9-19-12(22)8-20-6-4-5-11(13(20)23)15(16,17)18/h4-6,10,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyKYXVKLXQSDQMAD-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.78
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111480018) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111480018
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(O)CC(C)(C)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-10(21)7-14(2,3)9-19-12(22)8-20-6-4-5-11(13(20)23)15(16,17)18/h4-6,10,21H,7-9H2,1-3H3,(H,19,22)
InChIKeyKYXVKLXQSDQMAD-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111480018) is N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CC(O)CC(C)(C)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KYXVKLXQSDQMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-10(21)7-14(2,3)9-19-12(22)8-20-6-4-5-11(13(20)23)15(16,17)18/h4-6,10,21H,7-9H2,1-3H3,(H,19,22).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111480018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).