[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

C20H24N2O6 — CID 42901734

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESCC1CN(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C20H24N2O6/c1-13-10-21(11-14(2)28-13)17(23)12-27-18(24)8-5-9-22-19(25)15-6-3-4-7-16(15)20(22)26/h3-4,6-7,13-14H,5,8-12H2,1-2H3
InChIKeyRISMXGIKJRPHFO-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.24
Rot. Bonds6

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 42901734) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
PubChem CID42901734
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESCC1CN(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C20H24N2O6/c1-13-10-21(11-14(2)28-13)17(23)12-27-18(24)8-5-9-22-19(25)15-6-3-4-7-16(15)20(22)26/h3-4,6-7,13-14H,5,8-12H2,1-2H3
InChIKeyRISMXGIKJRPHFO-UHFFFAOYSA-N
XLogP1.24
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363317
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 41094033
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363133
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2386855
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 46789772
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate
CID 2590353
(2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2417417
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 3978976
2-[3-(2-benzyl-6-methylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110644164

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 42901734) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is CC1CN(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is RISMXGIKJRPHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-13-10-21(11-14(2)28-13)17(23)12-27-18(24)8-5-9-22-19(25)15-6-3-4-7-16(15)20(22)26/h3-4,6-7,13-14H,5,8-12H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 388.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 42901734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).