2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide

C16H24FNO3 — CID 103772311

IUPAC2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)(CCO)CNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-15(2,9-10-19)11-18-14(20)16(3,4)21-13-7-5-12(17)6-8-13/h5-8,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyAYLUISWZMMWPEK-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.51
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide

2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide (PubChem CID 103772311) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
PubChem CID103772311
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)(CCO)CNC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-15(2,9-10-19)11-18-14(20)16(3,4)21-13-7-5-12(17)6-8-13/h5-8,19H,9-11H2,1-4H3,(H,18,20)
InChIKeyAYLUISWZMMWPEK-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
CID 106167676
2-(4-fluorophenoxy)-N-(2-hydroxy-2,3-dimethylbutyl)-2-methylpropanamide
CID 111483880
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 103772535
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168
(2R)-2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-hydroxybutanoic acid
CID 107822709
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
CID 78851528
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 111426344
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 86990942

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide (CID 103772311) is 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide is CC(C)(CCO)CNC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide?
The InChIKey is AYLUISWZMMWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-15(2,9-10-19)11-18-14(20)16(3,4)21-13-7-5-12(17)6-8-13/h5-8,19H,9-11H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide?
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 2.51, 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-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 103772311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).