[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

C17H22ClNO3 — CID 2356160

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCN(C(=O)COC(=O)Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H22ClNO3/c1-19(15-5-3-2-4-6-15)16(20)12-22-17(21)11-13-7-9-14(18)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyODFRBLFCYZKVPG-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.22
Rot. Bonds5

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2356160) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2356160
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCN(C(=O)COC(=O)Cc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C17H22ClNO3/c1-19(15-5-3-2-4-6-15)16(20)12-22-17(21)11-13-7-9-14(18)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyODFRBLFCYZKVPG-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholinopropan-2-yl 2-(4-chlorophenyl)acetate hydrochloride
CID 2928075
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2355125
(Cyclopentylcarbamoyl)methyl 2-(4-chlorophenyl)acetate
CID 2521019
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
CID 3453266
[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-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2394155
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2514531
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
2-(Diethylamino)ethyl 2,2-bis(4-chlorophenyl)pentanoate;hydrochloride
CID 44537021

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2356160) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is CN(C(=O)COC(=O)Cc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is ODFRBLFCYZKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-19(15-5-3-2-4-6-15)16(20)12-22-17(21)11-13-7-9-14(18)10-8-13/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 323.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 2356160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).