[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C20H29NO5 — CID 8580497

IUPAC[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1OCC
InChIInChI=1S/C20H29NO5/c1-3-24-17-11-10-16(13-18(17)25-4-2)21-19(22)14-26-20(23)12-9-15-7-5-6-8-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,21,22)
InChIKeyXIHVEELEJOGHHV-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.94
Rot. Bonds10

About [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 8580497) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID8580497
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCCOc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1OCC
InChIInChI=1S/C20H29NO5/c1-3-24-17-11-10-16(13-18(17)25-4-2)21-19(22)14-26-20(23)12-9-15-7-5-6-8-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,21,22)
InChIKeyXIHVEELEJOGHHV-UHFFFAOYSA-N
XLogP3.94
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197601
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 42103755
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 18282994
[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711582
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 8580497) is [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate is CCOc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is XIHVEELEJOGHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-3-24-17-11-10-16(13-18(17)25-4-2)21-19(22)14-26-20(23)12-9-15-7-5-6-8-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,21,22).
What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 363.45 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 8580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).