[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate

C22H19NO5 — CID 8671886

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19NO5/c24-18-10-6-16(7-11-18)14-22(26)27-15-21(25)23-17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyNMOPGAOKNSAUHD-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.91
Rot. Bonds7

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate (PubChem CID 8671886) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
PubChem CID8671886
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19NO5/c24-18-10-6-16(7-11-18)14-22(26)27-15-21(25)23-17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyNMOPGAOKNSAUHD-UHFFFAOYSA-N
XLogP3.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672077
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 2383248
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-(4-hydroxyphenyl)acetate
CID 8671911
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672080
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate (CID 8671886) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate is O=C(COC(=O)Cc1ccc(O)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate?
The InChIKey is NMOPGAOKNSAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c24-18-10-6-16(7-11-18)14-22(26)27-15-21(25)23-17-8-12-20(13-9-17)28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate has a molecular weight of 377.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 8671886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).