[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate

C24H23NO3 — CID 7554635

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C24H23NO3/c1-16-13-17(2)23(18(3)14-16)25-22(26)15-28-24(27)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyIHTNMQSCKZIBAY-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.07
Rot. Bonds5

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate (PubChem CID 7554635) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
PubChem CID7554635
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1
InChIInChI=1S/C24H23NO3/c1-16-13-17(2)23(18(3)14-16)25-22(26)15-28-24(27)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,26)
InChIKeyIHTNMQSCKZIBAY-UHFFFAOYSA-N
XLogP5.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate 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-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(R)-ethylsulfinyl]benzoate
CID 11916249
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-phenylbenzoate
CID 7229156
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2491309
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554474
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate (CID 7554635) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate is Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate?
The InChIKey is IHTNMQSCKZIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-13-17(2)23(18(3)14-16)25-22(26)15-28-24(27)21-12-8-7-11-20(21)19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,25,26).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate has a molecular weight of 373.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate is sourced from PubChem (CID 7554635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).