[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate

C21H23NO4 — CID 7696392

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-14-5-7-16(8-6-14)20(25)26-13-18(23)22-19(24)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,23,24)
InChIKeyXPESOFGUHQLEAO-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.41
Rot. Bonds4

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

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate (PubChem CID 7696392) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
PubChem CID7696392
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H23NO4/c1-14-5-7-16(8-6-14)20(25)26-13-18(23)22-19(24)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,23,24)
InChIKeyXPESOFGUHQLEAO-UHFFFAOYSA-N
XLogP3.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-bromobenzoate
CID 7889691
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] propanoate
CID 7851351
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891349
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814464
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8760032
[2-(2-methoxyethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631759
(4-tert-butylphenyl)methyl 4-methylbenzoate
CID 926039
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 7722764
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-nitrobenzoate
CID 7769376

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate (CID 7696392) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate?
The InChIKey is XPESOFGUHQLEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14-5-7-16(8-6-14)20(25)26-13-18(23)22-19(24)15-9-11-17(12-10-15)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,23,24).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate has a molecular weight of 353.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-methylbenzoate is sourced from PubChem (CID 7696392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).