[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C15H19FN2O4 — CID 2544539

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyCUNWGKUPIVCTNJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.54
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 2544539) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID2544539
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C15H19FN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyCUNWGKUPIVCTNJ-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661190
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 2544539) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is CUNWGKUPIVCTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 310.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 2544539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).