[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C18H16N2O5 — CID 2592546

IUPAC[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H16N2O5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-4-2-13(10-19)3-5-14/h2-9H,11-12H2,1H3,(H,20,21)
InChIKeyUNXBMLCZENIJSU-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.13
Rot. Bonds7

About [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2592546) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2592546
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H16N2O5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-4-2-13(10-19)3-5-14/h2-9H,11-12H2,1H3,(H,20,21)
InChIKeyUNXBMLCZENIJSU-UHFFFAOYSA-N
XLogP2.13
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-(4-cyanophenoxy)acetate
CID 7843207
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842786
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915640
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982132

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2592546) is [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is UNXBMLCZENIJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-15-6-8-16(9-7-15)24-12-18(22)25-11-17(21)20-14-4-2-13(10-19)3-5-14/h2-9H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 340.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2592546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).