[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate

C24H21NO4 — CID 7764296

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21NO4/c1-2-17-9-8-12-19(15-17)25-22(26)16-29-24(28)21-14-7-6-13-20(21)23(27)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,25,26)
InChIKeyWJMGLIBZSIMBJS-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.28
Rot. Bonds7

About [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate

[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 7764296) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID7764296
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21NO4/c1-2-17-9-8-12-19(15-17)25-22(26)16-29-24(28)21-14-7-6-13-20(21)23(27)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,25,26)
InChIKeyWJMGLIBZSIMBJS-UHFFFAOYSA-N
XLogP4.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621778
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7865594
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 71905011
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(3-ethylanilino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602317
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-(ethylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621635
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
[2-(3-ethylanilino)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 38530845

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate (CID 7764296) is [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate is CCc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is WJMGLIBZSIMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-2-17-9-8-12-19(15-17)25-22(26)16-29-24(28)21-14-7-6-13-20(21)23(27)18-10-4-3-5-11-18/h3-15H,2,16H2,1H3,(H,25,26).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate?
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 387.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 7764296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).