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

C16H19Cl2NO5 — CID 23856365

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC1CN(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO5/c1-10-6-19(7-11(2)24-10)15(20)8-23-16(21)9-22-14-4-3-12(17)5-13(14)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyBPFVVKZXOVHJDU-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.55
Rot. Bonds5

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

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 23856365) has the molecular formula C16H19Cl2NO5 and a molecular weight of 376.24 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID23856365
Molecular FormulaC16H19Cl2NO5
Molecular Weight376.24 g/mol
Exact Mass375.06
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC1CN(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C16H19Cl2NO5/c1-10-6-19(7-11(2)24-10)15(20)8-23-16(21)9-22-14-4-3-12(17)5-13(14)18/h3-5,10-11H,6-9H2,1-2H3
InChIKeyBPFVVKZXOVHJDU-UHFFFAOYSA-N
XLogP2.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7874122
1-[2-(2,4-dichlorophenoxy)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721708
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509056
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 55475153
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
1-[2-(2,4-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119590

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 23856365) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is CC1CN(C(=O)COC(=O)COc2ccc(Cl)cc2Cl)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is BPFVVKZXOVHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO5/c1-10-6-19(7-11(2)24-10)15(20)8-23-16(21)9-22-14-4-3-12(17)5-13(14)18/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 376.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 23856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).