[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

C12H13FN2O5 — CID 7791448

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O5/c1-14-12(18)15-10(16)6-20-11(17)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyJKEMGAZUPCXFER-UHFFFAOYSA-N
MW284.24 g/mol
LogP0.20
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (PubChem CID 7791448) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
PubChem CID7791448
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
SMILESCNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O5/c1-14-12(18)15-10(16)6-20-11(17)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H2,14,15,16,18)
InChIKeyJKEMGAZUPCXFER-UHFFFAOYSA-N
XLogP0.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791750
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791412
methyl 2-(4-fluorophenoxy)acetate
CID 580550
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812295
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791687
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791318
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791504
N-(methylcarbamoyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 47106502

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate (CID 7791448) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate is CNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
The InChIKey is JKEMGAZUPCXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O5/c1-14-12(18)15-10(16)6-20-11(17)7-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H2,14,15,16,18).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate has a molecular weight of 284.24 g/mol, XLogP of 0.20, 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-fluorophenoxy)acetate is sourced from PubChem (CID 7791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).