[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate

C21H16N2O3 — CID 7828754

IUPAC[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESN#Cc1ccc(NC(=O)COC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H16N2O3/c22-13-15-6-9-19(10-7-15)23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12,14H2,(H,23,24)
InChIKeyYEOAQKYEJFNSPL-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.44
Rot. Bonds5

About [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate

[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate (PubChem CID 7828754) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
PubChem CID7828754
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESN#Cc1ccc(NC(=O)COC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H16N2O3/c22-13-15-6-9-19(10-7-15)23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12,14H2,(H,23,24)
InChIKeyYEOAQKYEJFNSPL-UHFFFAOYSA-N
XLogP3.44
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968961
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 33279450
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828580
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765971
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
CID 7828531
[2-(4-cyanoanilino)-2-oxoethyl] benzoate
CID 2517291

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate (CID 7828754) is [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate is N#Cc1ccc(NC(=O)COC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The InChIKey is YEOAQKYEJFNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3/c22-13-15-6-9-19(10-7-15)23-20(24)14-26-21(25)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11H,12,14H2,(H,23,24).
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate has a molecular weight of 344.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate is sourced from PubChem (CID 7828754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).