[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate

C17H23NO3 — CID 2352281

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-7-9-15(10-8-13)18-16(19)12-21-17(20)11-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyCNPZOPGAHZFZQH-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.31
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2352281) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2352281
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-2-13-7-9-15(10-8-13)18-16(19)12-21-17(20)11-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19)
InChIKeyCNPZOPGAHZFZQH-UHFFFAOYSA-N
XLogP3.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
Oxanilic acid, 4-methyl-, ethyl ester
CID 140391
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
[2-(4-Carbamoylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3576629
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2352281) is [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate is CCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is CNPZOPGAHZFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-13-7-9-15(10-8-13)18-16(19)12-21-17(20)11-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(4-ethylanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 289.37 g/mol, XLogP of 3.31, 6 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-cyclopentylacetate is sourced from PubChem (CID 2352281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).