[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C16H20ClNO3 — CID 2566919

IUPAC[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H20ClNO3/c1-2-18-14(19)11-21-15(20)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyQQDGPKCSBRFVRJ-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.83
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate

[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 2566919) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID2566919
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H20ClNO3/c1-2-18-14(19)11-21-15(20)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyQQDGPKCSBRFVRJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528439
[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
[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-(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-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
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 8759060

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 2566919) is [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CCNC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QQDGPKCSBRFVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-2-18-14(19)11-21-15(20)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 309.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2566919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).