N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C13H17F3N2O3 — CID 111542957

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3
InChIKeyHDYMOTOSDUVHCN-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.10
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111542957) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111542957
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3
InChIKeyHDYMOTOSDUVHCN-UHFFFAOYSA-N
XLogP1.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111542957) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(CC(C)(C)O)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HDYMOTOSDUVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-12(2,21)8-17(3)10(19)7-18-6-4-5-9(11(18)20)13(14,15)16/h4-6,21H,7-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111542957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).