N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide

C16H24FNO2 — CID 97038167

IUPACN-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
SMILESCCCC[C@H](CC)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-6-13(4-2)11-18-16(19)12-20-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyABSGOLRSNPEJPM-ZDUSSCGKSA-N
MW281.37 g/mol
LogP3.54
Rot. Bonds9

About N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide

N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 97038167) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
PubChem CID97038167
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
SMILESCCCC[C@H](CC)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-6-13(4-2)11-18-16(19)12-20-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyABSGOLRSNPEJPM-ZDUSSCGKSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5172128
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N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
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N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
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N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
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N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
N-[(2S)-2-ethylhexyl]-4-octoxybenzamide
CID 125462791
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065749

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide (CID 97038167) is N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide is CCCC[C@H](CC)CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is ABSGOLRSNPEJPM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-5-6-13(4-2)11-18-16(19)12-20-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide?
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 281.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 97038167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).