[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C18H21Cl2NO3 — CID 2514531

IUPAC[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C18H21Cl2NO3/c19-15-7-6-14(16(20)11-15)10-18(23)24-12-17(22)21-9-8-13-4-2-1-3-5-13/h4,6-7,11H,1-3,5,8-10,12H2,(H,21,22)
InChIKeyLMEJYIMTVDFCOW-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.09
Rot. Bonds7

About [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2514531) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2514531
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C18H21Cl2NO3/c19-15-7-6-14(16(20)11-15)10-18(23)24-12-17(22)21-9-8-13-4-2-1-3-5-13/h4,6-7,11H,1-3,5,8-10,12H2,(H,21,22)
InChIKeyLMEJYIMTVDFCOW-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(Cyclohexylmethylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2352738
(Cyclopentylcarbamoyl)methyl 2-(4-chlorophenyl)acetate
CID 2521019
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 4638997
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4801850
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717266
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2381042
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2407854
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2514531) is [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCC1=CCCCC1.
What is the InChIKey of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is LMEJYIMTVDFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3/c19-15-7-6-14(16(20)11-15)10-18(23)24-12-17(22)21-9-8-13-4-2-1-3-5-13/h4,6-7,11H,1-3,5,8-10,12H2,(H,21,22).
What are the key properties of [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 370.28 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2514531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).