[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

C14H17ClN2O5 — CID 2576910

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C14H17ClN2O5/c1-8-4-10(15)5-9(2)13(8)22-7-12(19)21-6-11(18)17-14(20)16-3/h4-5H,6-7H2,1-3H3,(H2,16,17,18,20)
InChIKeyLIHHCCFYTDWPMN-UHFFFAOYSA-N
MW328.75 g/mol
LogP1.33
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (PubChem CID 2576910) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
PubChem CID2576910
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C
InChIInChI=1S/C14H17ClN2O5/c1-8-4-10(15)5-9(2)13(8)22-7-12(19)21-6-11(18)17-14(20)16-3/h4-5H,6-7H2,1-3H3,(H2,16,17,18,20)
InChIKeyLIHHCCFYTDWPMN-UHFFFAOYSA-N
XLogP1.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631709
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2576888
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528048
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2554300
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2097342
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate (CID 2576910) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate is CNC(=O)NC(=O)COC(=O)COc1c(C)cc(Cl)cc1C.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
The InChIKey is LIHHCCFYTDWPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5/c1-8-4-10(15)5-9(2)13(8)22-7-12(19)21-6-11(18)17-14(20)16-3/h4-5H,6-7H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate has a molecular weight of 328.75 g/mol, XLogP of 1.33, 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-2,6-dimethylphenoxy)acetate is sourced from PubChem (CID 2576910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).