[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate

C18H24N2O4 — CID 16523079

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(24-17(22)11-14-5-3-4-6-14)18(23)20-16-9-7-15(8-10-16)19-13(2)21/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDUHDKYRFTKQLTQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.10
Rot. Bonds6

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate (PubChem CID 16523079) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate
PubChem CID16523079
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate
SMILESCC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CC2CCCC2)cc1
InChIInChI=1S/C18H24N2O4/c1-12(24-17(22)11-14-5-3-4-6-14)18(23)20-16-9-7-15(8-10-16)19-13(2)21/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDUHDKYRFTKQLTQ-UHFFFAOYSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25065710
N7-hydroxy-N1-phenyl-2-propoxyheptanediamide
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N8-hydroxy-2-methoxy-N1-phenyloctanediamide
CID 25065930
[(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-Nitroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3491138
[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-(2-Ethyl-6-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 8233956
(2-Anilino-2-oxoethyl) 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 16304613

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate (CID 16523079) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate is CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CC2CCCC2)cc1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate?
The InChIKey is DUHDKYRFTKQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(24-17(22)11-14-5-3-4-6-14)18(23)20-16-9-7-15(8-10-16)19-13(2)21/h7-10,12,14H,3-6,11H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate has a molecular weight of 332.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-cyclopentylacetate is sourced from PubChem (CID 16523079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).