[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C20H26ClNO5 — CID 16528439

IUPAC[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H26ClNO5/c1-2-26-18(24)6-5-13-22-17(23)14-27-19(25)20(11-3-4-12-20)15-7-9-16(21)10-8-15/h7-10H,2-6,11-14H2,1H3,(H,22,23)
InChIKeyGBPUHCLZOBZCMW-UHFFFAOYSA-N
MW395.88 g/mol
LogP3.15
Rot. Bonds9

About [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 16528439) has the molecular formula C20H26ClNO5 and a molecular weight of 395.88 g/mol. Its IUPAC name is [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID16528439
Molecular FormulaC20H26ClNO5
Molecular Weight395.88 g/mol
Exact Mass395.15
IUPAC Name[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)CCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H26ClNO5/c1-2-26-18(24)6-5-13-22-17(23)14-27-19(25)20(11-3-4-12-20)15-7-9-16(21)10-8-15/h7-10H,2-6,11-14H2,1H3,(H,22,23)
InChIKeyGBPUHCLZOBZCMW-UHFFFAOYSA-N
XLogP3.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.88
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7604734
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566951
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528438
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353566
[2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642302
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 27893749
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566979
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 16528439) is [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CCOC(=O)CCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is GBPUHCLZOBZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO5/c1-2-26-18(24)6-5-13-22-17(23)14-27-19(25)20(11-3-4-12-20)15-7-9-16(21)10-8-15/h7-10H,2-6,11-14H2,1H3,(H,22,23).
What are the key properties of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 395.88 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 16528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).