[2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C18H25NO3 — CID 2432299

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1cc(C)cc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H25NO3/c1-13-9-14(2)11-16(10-13)19-17(20)12-22-18(21)8-7-15-5-3-4-6-15/h9-11,15H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyXYXFEGRJXUVKNM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.76
Rot. Bonds6

About [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2432299) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2432299
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCc1cc(C)cc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C18H25NO3/c1-13-9-14(2)11-16(10-13)19-17(20)12-22-18(21)8-7-15-5-3-4-6-15/h9-11,15H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyXYXFEGRJXUVKNM-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

[(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-(2,6-Dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511118
[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
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
2-(2-Bromoanilino)-2-oxoethyl 3-cyclopentylpropanoate
CID 2365982

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2432299) is [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is Cc1cc(C)cc(NC(=O)COC(=O)CCC2CCCC2)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is XYXFEGRJXUVKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-9-14(2)11-16(10-13)19-17(20)12-22-18(21)8-7-15-5-3-4-6-15/h9-11,15H,3-8,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(3,5-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-(3,5-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2432299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).