[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C15H18Cl2N2O4 — CID 2536266

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

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2536266) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2536266
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)7-9-4-5-10(16)11(17)6-9/h4-6H,7-8H2,1-3H3,(H2,18,19,20,22)
InChIKeyZIGRPCCDYCSXMX-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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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520904
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514803
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514768
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725051
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 2540902
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725126
methyl (2S,3S)-2-[[2-[2-(3,4-dichlorophenyl)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9203213
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724950
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203232
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203223

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 2536266) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is ZIGRPCCDYCSXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)7-9-4-5-10(16)11(17)6-9/h4-6H,7-8H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-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-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2536266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).