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

C17H20N2O4 — CID 2854448

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-11-9-18(10-12(2)23-11)15(20)7-8-19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGYSQGUHYYBYHEM-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds3

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

2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione (PubChem CID 2854448) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
PubChem CID2854448
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione
SMILESCC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-11-9-18(10-12(2)23-11)15(20)7-8-19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyGYSQGUHYYBYHEM-UHFFFAOYSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
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
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
Morpholine, 4-(o-benzoylbenzoyl)
CID 208217
N-(2-Hydroxyethyl)phthalimide
CID 77499
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione (CID 2854448) is 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione is CC1CN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is GYSQGUHYYBYHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-9-18(10-12(2)23-11)15(20)7-8-19-16(21)13-5-3-4-6-14(13)17(19)22/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione?
2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 2854448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).