2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide

C16H24FNO3 — CID 106167676

IUPAC2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-5-16(4,10-11-19)18-14(20)15(2,3)21-13-8-6-12(17)7-9-13/h6-9,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeySTVGXUVCZAVUCW-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide

2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide (PubChem CID 106167676) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
PubChem CID106167676
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-5-16(4,10-11-19)18-14(20)15(2,3)21-13-8-6-12(17)7-9-13/h6-9,19H,5,10-11H2,1-4H3,(H,18,20)
InChIKeySTVGXUVCZAVUCW-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-(2-fluorophenoxy)acetamide
CID 5742499
2-phenoxy-N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)acetamide
CID 10107533
Acetamide, 2,2'-(1,4-phenylenebis(oxy))bis(N-(1,1-dimethylethyl)-
CID 218936
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
N-tert-butyl-3-(3-fluorophenoxy)propanamide
CID 45874528
2-(4-fluorophenoxy)-N-((1-(hydroxymethyl)cyclopropyl)methyl)acetamide
CID 49670933
N-(2-cyclopropyl-2-hydroxypropyl)-2-(2-fluorophenoxy)acetamide
CID 52992744
N-(1-cyano-2-methoxy-1-methylethyl)-2-phenoxyacetamide
CID 71849706
2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
CID 10684824
2-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 1338633
N-tert-butyl-2-(4-methoxyphenoxy)acetamide
CID 2329779
N-tert-butyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 2986281

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide (CID 106167676) is 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide is CCC(C)(CCO)NC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
The InChIKey is STVGXUVCZAVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-16(4,10-11-19)18-14(20)15(2,3)21-13-8-6-12(17)7-9-13/h6-9,19H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide?
2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide is sourced from PubChem (CID 106167676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).