[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate

C17H23NO3 — CID 2445981

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1cccc(NC(=O)COC(=O)CC2CCCC2)c1C
InChIInChI=1S/C17H23NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyFTMDPAAKNXAGIX-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.37
Rot. Bonds5

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2445981) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2445981
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1cccc(NC(=O)COC(=O)CC2CCCC2)c1C
InChIInChI=1S/C17H23NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,18,19)
InChIKeyFTMDPAAKNXAGIX-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[2-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(3,4-Dimethylanilino)-2-oxoethyl] 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
CID 4782550
[2-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 8233956
[2-[[2-(2,3-Dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 16298089
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[2-Oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2379220

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2445981) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate is Cc1cccc(NC(=O)COC(=O)CC2CCCC2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is FTMDPAAKNXAGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-6-5-9-15(13(12)2)18-16(19)11-21-17(20)10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3,(H,18,19).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 289.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2445981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).