2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide

C20H24FNO3 — CID 166355944

IUPAC2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCCc1cccc(OCC(=O)NC(C)C(O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H24FNO3/c1-4-15-6-5-7-17(10-15)25-12-19(23)22-14(3)20(24)16-9-8-13(2)18(21)11-16/h5-11,14,20,24H,4,12H2,1-3H3,(H,22,23)
InChIKeyUIOBIXLYGDQFPI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.31
Rot. Bonds7

About 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide

2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide (PubChem CID 166355944) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide
PubChem CID166355944
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide
SMILESCCc1cccc(OCC(=O)NC(C)C(O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C20H24FNO3/c1-4-15-6-5-7-17(10-15)25-12-19(23)22-14(3)20(24)16-9-8-13(2)18(21)11-16/h5-11,14,20,24H,4,12H2,1-3H3,(H,22,23)
InChIKeyUIOBIXLYGDQFPI-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43238757
(2S,3R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964462
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
CID 97069041
(2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61138039
(2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975786
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 10891430
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884614
2-(3-ethylphenoxy)-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]acetamide
CID 51950842
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-ethylphenoxy)acetamide
CID 43019131
2-(3,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326919

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide (CID 166355944) is 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide is CCc1cccc(OCC(=O)NC(C)C(O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide?
The InChIKey is UIOBIXLYGDQFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-15-6-5-7-17(10-15)25-12-19(23)22-14(3)20(24)16-9-8-13(2)18(21)11-16/h5-11,14,20,24H,4,12H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide?
2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-[1-(3-fluoro-4-methylphenyl)-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 166355944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).