(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate

C18H20N2O6 — CID 9363317

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O6/c21-15(19-8-10-25-11-9-19)12-26-16(22)6-3-7-20-17(23)13-4-1-2-5-14(13)18(20)24/h1-2,4-5H,3,6-12H2
InChIKeyJUWVPIKCRHKIKW-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.46
Rot. Bonds6

About (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate

(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 9363317) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
PubChem CID9363317
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O6/c21-15(19-8-10-25-11-9-19)12-26-16(22)6-3-7-20-17(23)13-4-1-2-5-14(13)18(20)24/h1-2,4-5H,3,6-12H2
InChIKeyJUWVPIKCRHKIKW-UHFFFAOYSA-N
XLogP0.46
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate with MolForge

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 42901734
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363133
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 3978976
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 46789772
(2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2417417
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 9363317) is (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate is O=C(CCCN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is JUWVPIKCRHKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c21-15(19-8-10-25-11-9-19)12-26-16(22)6-3-7-20-17(23)13-4-1-2-5-14(13)18(20)24/h1-2,4-5H,3,6-12H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate?
(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 360.37 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 9363317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).