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

C18H25NO3 — CID 2521687

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1C
InChIInChI=1S/C18H25NO3/c1-13-6-5-9-16(14(13)2)19-17(20)12-22-18(21)11-10-15-7-3-4-8-15/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyLPYXOAGZOMDLPX-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.76
Rot. Bonds6

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

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2521687) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2521687
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1C
InChIInChI=1S/C18H25NO3/c1-13-6-5-9-16(14(13)2)19-17(20)12-22-18(21)11-10-15-7-3-4-8-15/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,19,20)
InChIKeyLPYXOAGZOMDLPX-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635354
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197040
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
(2,3-dimethylphenyl) 3-cyclopentylpropanoate
CID 91711335
[2-(2-iodoanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 18293041
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855932
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2335761

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2521687) is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is Cc1cccc(NC(=O)COC(=O)CCC2CCCC2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is LPYXOAGZOMDLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-6-5-9-16(14(13)2)19-17(20)12-22-18(21)11-10-15-7-3-4-8-15/h5-6,9,15H,3-4,7-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 303.40 g/mol, XLogP of 3.76, 6 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 2521687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).