N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H21F3N2O3 — CID 111115798

IUPACN-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-3-10(4-2)12(21)8-19-13(22)9-20-7-5-6-11(14(20)23)15(16,17)18/h5-7,10,12,21H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyIHINPLUYOWYGLW-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.78
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111115798) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111115798
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(CC)C(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C15H21F3N2O3/c1-3-10(4-2)12(21)8-19-13(22)9-20-7-5-6-11(14(20)23)15(16,17)18/h5-7,10,12,21H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyIHINPLUYOWYGLW-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111115798) is N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCC(CC)C(O)CNC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is IHINPLUYOWYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-3-10(4-2)12(21)8-19-13(22)9-20-7-5-6-11(14(20)23)15(16,17)18/h5-7,10,12,21H,3-4,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111115798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).