2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide

C16H24FNO3 — CID 109380791

IUPAC2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-11(2)15(20)16(3,4)10-18-14(19)9-21-13-7-5-12(17)6-8-13/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyTWEDNYLWPMYXEE-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.36
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide

2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide (PubChem CID 109380791) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
PubChem CID109380791
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H24FNO3/c1-11(2)15(20)16(3,4)10-18-14(19)9-21-13-7-5-12(17)6-8-13/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19)
InChIKeyTWEDNYLWPMYXEE-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380737
2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide (CID 109380791) is 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide is CC(C)C(O)C(C)(C)CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
The InChIKey is TWEDNYLWPMYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(2)15(20)16(3,4)10-18-14(19)9-21-13-7-5-12(17)6-8-13/h5-8,11,15,20H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide?
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide has a molecular weight of 297.37 g/mol, XLogP of 2.36, 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-(3-hydroxy-2,2,4-trimethylpentyl)acetamide is sourced from PubChem (CID 109380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).