2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione

C16H18N2O4 — CID 645984

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C16H18N2O4/c1-10-7-17(8-11(2)22-10)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3
InChIKeyUEGJRLFMYKIMGV-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.92
Rot. Bonds2

About 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 645984) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID645984
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C16H18N2O4/c1-10-7-17(8-11(2)22-10)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3
InChIKeyUEGJRLFMYKIMGV-UHFFFAOYSA-N
XLogP0.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-Epoxypropyl)phthalimide
CID 21601
Phthalimidoacetone
CID 235046
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
2-Phthalimidoacetamide
CID 21053
N-Methylthalidomide
CID 101195
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597
Diethyl phthalimidomalonate
CID 79760
acs.jmedchem.1c00409_ST.162
CID 88598251
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354
2-(2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione
CID 243038
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
2-[2-(1-Cyclohexen-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 572777

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione (CID 645984) is 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione is CC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is UEGJRLFMYKIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-17(8-11(2)22-10)14(19)9-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 302.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 645984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).