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

C17H20N2O4 — CID 2855188

IUPAC2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC1CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-10-8-18(9-11(2)23-10)15(20)12(3)19-16(21)13-6-4-5-7-14(13)17(19)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFZAXAPQYHLECOI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds2

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

2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 2855188) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID2855188
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC1CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC(C)O1
InChIInChI=1S/C17H20N2O4/c1-10-8-18(9-11(2)23-10)15(20)12(3)19-16(21)13-6-4-5-7-14(13)17(19)22/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFZAXAPQYHLECOI-UHFFFAOYSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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

Thalidomide
CID 5426
(S)-Thalidomide
CID 92142
N-(2,3-Epoxypropyl)phthalimide
CID 21601
(R)-Thalidomide
CID 75792
alpha-Phthalimidopropiophenone
CID 519663
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
2-Phthalimidobutyrolactone
CID 2783926
N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597
Diethyl phthalimidomalonate
CID 79760
N-Phthaloyl-DL-glutamic anhydride
CID 92193
acs.jmedchem.1c00409_ST.162
CID 88598251

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 2855188) is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is CC1CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC(C)O1.
What is the InChIKey of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is FZAXAPQYHLECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-8-18(9-11(2)23-10)15(20)12(3)19-16(21)13-6-4-5-7-14(13)17(19)22/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2855188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).