[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

C21H16N2O4 — CID 9317702

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2O4/c22-12-16-7-2-4-11-19(16)26-14-21(25)27-13-20(24)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11H,13-14H2,(H,23,24)
InChIKeyCTMPFDXHQADTLA-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.27
Rot. Bonds6

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (PubChem CID 9317702) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
PubChem CID9317702
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
SMILESN#Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N2O4/c22-12-16-7-2-4-11-19(16)26-14-21(25)27-13-20(24)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11H,13-14H2,(H,23,24)
InChIKeyCTMPFDXHQADTLA-UHFFFAOYSA-N
XLogP3.27
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903860
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318132
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-cyanophenoxy)acetate
CID 2124208
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842616
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-cyanophenoxy)acetate
CID 9275268
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 3453907

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate (CID 9317702) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is N#Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
The InChIKey is CTMPFDXHQADTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c22-12-16-7-2-4-11-19(16)26-14-21(25)27-13-20(24)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11H,13-14H2,(H,23,24).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate has a molecular weight of 360.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate is sourced from PubChem (CID 9317702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).