[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

C13H15ClN2O5 — CID 8021109

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H15ClN2O5/c1-8-5-9(14)3-4-10(8)20-7-12(18)21-6-11(17)16-13(19)15-2/h3-5H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyTUUXUMNVIBHCHX-UHFFFAOYSA-N
MW314.73 g/mol
LogP1.03
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 8021109) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID8021109
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H15ClN2O5/c1-8-5-9(14)3-4-10(8)20-7-12(18)21-6-11(17)16-13(19)15-2/h3-5H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyTUUXUMNVIBHCHX-UHFFFAOYSA-N
XLogP1.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576910
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230900
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554300
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-4-phenylphenoxy)acetate
CID 8546642
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779559
[2-(3-acetylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779556
ethyl 4-[[2-[2-(4-chloro-2-methylphenoxy)acetyl]oxyacetyl]amino]butanoate
CID 29155553
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 7868590

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 8021109) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is CNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is TUUXUMNVIBHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-8-5-9(14)3-4-10(8)20-7-12(18)21-6-11(17)16-13(19)15-2/h3-5H,6-7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 314.73 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 8021109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).