[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate

C25H23NO5 — CID 42984082

IUPAC[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(25(29)21-8-12-22(13-9-21)26-18(2)27)31-24(28)16-30-23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyZIIINOCMEKDJOT-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.51
Rot. Bonds8

About [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate

[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate (PubChem CID 42984082) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
PubChem CID42984082
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
SMILESCC(=O)Nc1ccc(C(=O)C(C)OC(=O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23NO5/c1-17(25(29)21-8-12-22(13-9-21)26-18(2)27)31-24(28)16-30-23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27)
InChIKeyZIIINOCMEKDJOT-UHFFFAOYSA-N
XLogP4.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821299
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-ethylphenoxy)acetate
CID 7844674
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7616735

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate?
The IUPAC name of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate (CID 42984082) is [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate?
The canonical SMILES for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate is CC(=O)Nc1ccc(C(=O)C(C)OC(=O)COc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate?
The InChIKey is ZIIINOCMEKDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-17(25(29)21-8-12-22(13-9-21)26-18(2)27)31-24(28)16-30-23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,27).
What are the key properties of [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate?
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate has a molecular weight of 417.46 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 42984082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).