[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C15H18Cl2N2O4 — CID 2508439

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8H2,1-3H3,(H2,18,19,20,22)
InChIKeyTVAGLUHDGWSDAV-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.70
Rot. Bonds4

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

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2508439) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2508439
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8H2,1-3H3,(H2,18,19,20,22)
InChIKeyTVAGLUHDGWSDAV-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2508439) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is TVAGLUHDGWSDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)6-9-4-5-10(16)7-11(9)17/h4-5,7H,6,8H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 361.23 g/mol, XLogP of 2.70, 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-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2508439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).