[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate

C13H14ClNO4 — CID 2432738

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESC=CCNC(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO4/c1-2-7-15-12(16)8-19-13(17)9-18-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,16)
InChIKeyICVWAIYKXUWCJF-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.56
Rot. Bonds7

About [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2432738) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2432738
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESC=CCNC(=O)COC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO4/c1-2-7-15-12(16)8-19-13(17)9-18-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,16)
InChIKeyICVWAIYKXUWCJF-UHFFFAOYSA-N
XLogP1.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate (CID 2432738) is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate is C=CCNC(=O)COC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is ICVWAIYKXUWCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-2-7-15-12(16)8-19-13(17)9-18-11-5-3-10(14)4-6-11/h2-6H,1,7-9H2,(H,15,16).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 283.71 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2432738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).