[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

C22H23ClN2O5 — CID 4785068

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O5/c1-22(2,3)16-8-4-15(5-9-16)21(29)25-18(26)13-30-19(27)12-24-20(28)14-6-10-17(23)11-7-14/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyCTXRADKPLNXPDA-UHFFFAOYSA-N
MW430.89 g/mol
LogP2.87
Rot. Bonds6

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 4785068) has the molecular formula C22H23ClN2O5 and a molecular weight of 430.89 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID4785068
Molecular FormulaC22H23ClN2O5
Molecular Weight430.89 g/mol
Exact Mass430.13
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H23ClN2O5/c1-22(2,3)16-8-4-15(5-9-16)21(29)25-18(26)13-30-19(27)12-24-20(28)14-6-10-17(23)11-7-14/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyCTXRADKPLNXPDA-UHFFFAOYSA-N
XLogP2.87
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854403
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878911
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878582
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2362655
[2-(4-chlorophenyl)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827856
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171
[2-(4-iodoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 2488185
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854407

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 4785068) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is CTXRADKPLNXPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5/c1-22(2,3)16-8-4-15(5-9-16)21(29)25-18(26)13-30-19(27)12-24-20(28)14-6-10-17(23)11-7-14/h4-11H,12-13H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 430.89 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4785068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).