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

C16H19ClN2O4 — CID 2566951

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H19ClN2O4/c1-18-15(22)19-13(20)10-23-14(21)16(8-2-3-9-16)11-4-6-12(17)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,18,19,20,22)
InChIKeyHSDKGIQYWOAYAJ-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.15
Rot. Bonds4

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

[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 2566951) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID2566951
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H19ClN2O4/c1-18-15(22)19-13(20)10-23-14(21)16(8-2-3-9-16)11-4-6-12(17)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,18,19,20,22)
InChIKeyHSDKGIQYWOAYAJ-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate
CID 9107006
[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-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 8759060
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866334
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353566
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528439
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7041004
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7392423
[2-oxo-2-(prop-2-ynylamino)ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8642302

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 2566951) is [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is CNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is HSDKGIQYWOAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-18-15(22)19-13(20)10-23-14(21)16(8-2-3-9-16)11-4-6-12(17)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 338.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2566951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).