[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate

C26H21NO3 — CID 7828531

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
SMILESO=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NO3/c28-25(27-24-13-7-6-12-23(24)21-9-2-1-3-10-21)18-30-26(29)17-19-14-15-20-8-4-5-11-22(20)16-19/h1-16H,17-18H2,(H,27,28)
InChIKeySUDJVFVQCQVTQR-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.23
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate

[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate (PubChem CID 7828531) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
PubChem CID7828531
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
SMILESO=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C26H21NO3/c28-25(27-24-13-7-6-12-23(24)21-9-2-1-3-10-21)18-30-26(29)17-19-14-15-20-8-4-5-11-22(20)16-19/h1-16H,17-18H2,(H,27,28)
InChIKeySUDJVFVQCQVTQR-UHFFFAOYSA-N
XLogP5.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 8635249
[2-oxo-2-(2-phenylanilino)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667150
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828670
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828580
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828754
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828504
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 33279450
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate (CID 7828531) is [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate is O=C(COC(=O)Cc1ccc2ccccc2c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate?
The InChIKey is SUDJVFVQCQVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c28-25(27-24-13-7-6-12-23(24)21-9-2-1-3-10-21)18-30-26(29)17-19-14-15-20-8-4-5-11-22(20)16-19/h1-16H,17-18H2,(H,27,28).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate?
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate has a molecular weight of 395.46 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate is sourced from PubChem (CID 7828531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).