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

C21H21N3O5 — CID 11516758

IUPAC2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
InChIKeyCKFVSMPWXAASIQ-MRXNPFEDSA-N
MW395.42 g/mol
LogP1.12
Rot. Bonds6

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

2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione (PubChem CID 11516758) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
PubChem CID11516758
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
InChIKeyCKFVSMPWXAASIQ-MRXNPFEDSA-N
XLogP1.12
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-(4-Morpholinoanilinomethyl)phthalimide
CID 2731384
2-(4-(Phenylamino)butyl)isoindoline-1,3-dione
CID 255887
2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 11690317
2-{[3-methyl-5-(morpholin-4-yl)phenyl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 803852
N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1070495
N-(4-acetamidophenyl)-4-(1,3-dioxo-2-isoindolyl)butanamide
CID 1537655
N-[4-(diethylamino)phenyl]-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
CID 1556088
N-[4-(acetylamino)phenyl]-6-(1,3-dioxobenzo[c]azolin-2-yl)hexanamide
CID 1572650
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-morpholinobenzyl)acetamide
CID 2738655
2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 2788210
5-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4-methylphenyl)-2-(4-morpholinyl)benzamide
CID 2927716
O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-dimethylaminophenyl)carbamothioate
CID 5278691

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione (CID 11516758) is 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione?
The InChIKey is CKFVSMPWXAASIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione?
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione has a molecular weight of 395.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 11516758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).