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

C18H22N2O4 — CID 18108378

IUPAC2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C18H22N2O4/c1-12-10-19(11-13(2)24-12)16(21)8-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7,12-13H,5,8-11H2,1-2H3
InChIKeyOXMGMYMODSBFOH-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.70
Rot. Bonds4

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

2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione (PubChem CID 18108378) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
PubChem CID18108378
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C18H22N2O4/c1-12-10-19(11-13(2)24-12)16(21)8-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7,12-13H,5,8-11H2,1-2H3
InChIKeyOXMGMYMODSBFOH-UHFFFAOYSA-N
XLogP1.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione (CID 18108378) is 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione is CC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
The InChIKey is OXMGMYMODSBFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-10-19(11-13(2)24-12)16(21)8-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7,12-13H,5,8-11H2,1-2H3.
What are the key properties of 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione?
2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione has a molecular weight of 330.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione is sourced from PubChem (CID 18108378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).