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

C16H24FNO3 — CID 103772535

IUPAC4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
SMILESCC(C)(CCO)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-16(2,9-10-19)12-18-15(20)4-3-11-21-14-7-5-13(17)6-8-14/h5-8,19H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyRXYZOXUCPHADDO-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.51
Rot. Bonds9

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

4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide (PubChem CID 103772535) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
PubChem CID103772535
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
SMILESCC(C)(CCO)CNC(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-16(2,9-10-19)12-18-15(20)4-3-11-21-14-7-5-13(17)6-8-14/h5-8,19H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyRXYZOXUCPHADDO-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
N-(2-amino-2-ethylbutyl)-4-(4-fluorophenoxy)butanamide
CID 119640920
4-(4-fluorophenoxy)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481140
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropanamide
CID 103772311
3-[3-(4-fluorophenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81367166
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103772894
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
N-(2,3-dihydroxypropyl)-4-(4-fluorophenoxy)butanamide
CID 66177314
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide (CID 103772535) is 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide is CC(C)(CCO)CNC(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
The InChIKey is RXYZOXUCPHADDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-16(2,9-10-19)12-18-15(20)4-3-11-21-14-7-5-13(17)6-8-14/h5-8,19H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide?
4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide has a molecular weight of 297.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)butanamide is sourced from PubChem (CID 103772535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).