[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate

C23H21NO4 — CID 8011307

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-21-13-7-17(8-14-21)15-23(26)28-16-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyNJPSVPHCVVGEOG-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.09
Rot. Bonds7

About [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate

[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 8011307) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
PubChem CID8011307
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-27-21-13-7-17(8-14-21)15-23(26)28-16-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,25)
InChIKeyNJPSVPHCVVGEOG-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 3557006
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate (CID 8011307) is [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is NJPSVPHCVVGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-21-13-7-17(8-14-21)15-23(26)28-16-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,25).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate?
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 375.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 8011307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).