2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione

C21H21N3O5 — CID 174863982

IUPAC2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
SMILESCC(O)(CNc1ccc(N2CCOCC2=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O5/c1-21(28,24-19(26)16-4-2-3-5-17(16)20(24)27)13-22-14-6-8-15(9-7-14)23-10-11-29-12-18(23)25/h2-9,22,28H,10-13H2,1H3
InChIKeyXPZHCMHHUXQQTK-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione

2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione (PubChem CID 174863982) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
PubChem CID174863982
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
SMILESCC(O)(CNc1ccc(N2CCOCC2=O)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O5/c1-21(28,24-19(26)16-4-2-3-5-17(16)20(24)27)13-22-14-6-8-15(9-7-14)23-10-11-29-12-18(23)25/h2-9,22,28H,10-13H2,1H3
InChIKeyXPZHCMHHUXQQTK-UHFFFAOYSA-N
XLogP1.47
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione;hydrofluoride
CID 161499223
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-[[(2R)-aziridin-2-yl]methylamino]phenyl]morpholin-3-one
CID 59515495
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione;2-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 162184019
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate
CID 175678833
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione (CID 174863982) is 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione is CC(O)(CNc1ccc(N2CCOCC2=O)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione?
The InChIKey is XPZHCMHHUXQQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-21(28,24-19(26)16-4-2-3-5-17(16)20(24)27)13-22-14-6-8-15(9-7-14)23-10-11-29-12-18(23)25/h2-9,22,28H,10-13H2,1H3.
What are the key properties of 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione?
2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione has a molecular weight of 395.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 174863982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).