[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate

C17H22N2O4 — CID 7722315

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)CC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-7-4-8-15(10-14)19-16(21)11-23-17(22)9-13-5-2-3-6-13/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyWXCOXZWFJIWNLM-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.71
Rot. Bonds6

About [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 7722315) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID7722315
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)CC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12(20)18-14-7-4-8-15(10-14)19-16(21)11-23-17(22)9-13-5-2-3-6-13/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyWXCOXZWFJIWNLM-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202924
[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclopentylacetate
CID 7722486
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-cyclohexylacetate
CID 35776383
[2-(3-acetamidoanilino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635014
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 2343770
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3397154
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776746

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 7722315) is [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate is CC(=O)Nc1cccc(NC(=O)COC(=O)CC2CCCC2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is WXCOXZWFJIWNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12(20)18-14-7-4-8-15(10-14)19-16(21)11-23-17(22)9-13-5-2-3-6-13/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 318.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 7722315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).