[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C16H19Cl2NO4 — CID 4638997

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC1CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRTJUXBOMBIAWJS-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.71
Rot. Bonds4

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 4638997) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID4638997
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC1CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyRTJUXBOMBIAWJS-UHFFFAOYSA-N
XLogP2.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 4638997) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CC1CN(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is RTJUXBOMBIAWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-10-7-19(8-11(2)23-10)15(20)9-22-16(21)6-12-13(17)4-3-5-14(12)18/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 360.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 4638997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).