[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C15H19ClN2O4 — CID 2520904

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyHVBYYOQUBISTEX-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.05
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2520904) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2520904
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21)
InChIKeyHVBYYOQUBISTEX-UHFFFAOYSA-N
XLogP2.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750216
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665938
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579100
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579280
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579279
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2450536
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2520904) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is HVBYYOQUBISTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-15(2,3)18-14(21)17-12(19)9-22-13(20)8-10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H2,17,18,19,21).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 326.78 g/mol, XLogP of 2.05, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 2520904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).