[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate

C25H25NO3 — CID 23825338

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-2-19-13-16-22(17-14-19)26-24(27)18-29-25(28)23-11-7-6-10-21(23)15-12-20-8-4-3-5-9-20/h3-11,13-14,16-17H,2,12,15,18H2,1H3,(H,26,27)
InChIKeyFKGXWTLOGZAILC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.83
Rot. Bonds8

About [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate (PubChem CID 23825338) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
PubChem CID23825338
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-2-19-13-16-22(17-14-19)26-24(27)18-29-25(28)23-11-7-6-10-21(23)15-12-20-8-4-3-5-9-20/h3-11,13-14,16-17H,2,12,15,18H2,1H3,(H,26,27)
InChIKeyFKGXWTLOGZAILC-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18275544
[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 18145462
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
[2-(4-ethylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8524003
methyl 2-(2-phenylethyl)benzoate
CID 59701000
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-oxo-2-(4-propylanilino)ethyl] 2-methylsulfonylbenzoate
CID 18127500
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18208130

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate (CID 23825338) is [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate is CCc1ccc(NC(=O)COC(=O)c2ccccc2CCc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate?
The InChIKey is FKGXWTLOGZAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-2-19-13-16-22(17-14-19)26-24(27)18-29-25(28)23-11-7-6-10-21(23)15-12-20-8-4-3-5-9-20/h3-11,13-14,16-17H,2,12,15,18H2,1H3,(H,26,27).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate?
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate has a molecular weight of 387.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate is sourced from PubChem (CID 23825338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).