[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate

C25H23N5O6 — CID 175678833

IUPAC[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate
SMILESO=C1c2ccccc2C(=O)N1CC(CNc1ccc(N2CCOCC2=O)cc1)OC(=O)n1ccnc1
InChIInChI=1S/C25H23N5O6/c31-22-15-35-12-11-29(22)18-7-5-17(6-8-18)27-13-19(36-25(34)28-10-9-26-16-28)14-30-23(32)20-3-1-2-4-21(20)24(30)33/h1-10,16,19,27H,11-15H2
InChIKeyROSLTDPPEIWWIV-UHFFFAOYSA-N
MW489.49 g/mol
LogP2.01
Rot. Bonds7

About [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate

[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate (PubChem CID 175678833) has the molecular formula C25H23N5O6 and a molecular weight of 489.49 g/mol. Its IUPAC name is [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate
PubChem CID175678833
Molecular FormulaC25H23N5O6
Molecular Weight489.49 g/mol
Exact Mass489.16
IUPAC Name[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate
SMILESO=C1c2ccccc2C(=O)N1CC(CNc1ccc(N2CCOCC2=O)cc1)OC(=O)n1ccnc1
InChIInChI=1S/C25H23N5O6/c31-22-15-35-12-11-29(22)18-7-5-17(6-8-18)27-13-19(36-25(34)28-10-9-26-16-28)14-30-23(32)20-3-1-2-4-21(20)24(30)33/h1-10,16,19,27H,11-15H2
InChIKeyROSLTDPPEIWWIV-UHFFFAOYSA-N
XLogP2.01
TPSA123.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
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
2-[2-hydroxy-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]isoindole-1,3-dione
CID 174863982
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
4-[4-[[(2R)-aziridin-2-yl]methylamino]phenyl]morpholin-3-one
CID 59515495
acetonitrile;bis([1-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropan-2-yl] 4-methylbenzoate)
CID 155823124

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate?
The IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate (CID 175678833) is [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate.
What is the SMILES notation for [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate?
The canonical SMILES for [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate is O=C1c2ccccc2C(=O)N1CC(CNc1ccc(N2CCOCC2=O)cc1)OC(=O)n1ccnc1.
What is the InChIKey of [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate?
The InChIKey is ROSLTDPPEIWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O6/c31-22-15-35-12-11-29(22)18-7-5-17(6-8-18)27-13-19(36-25(34)28-10-9-26-16-28)14-30-23(32)20-3-1-2-4-21(20)24(30)33/h1-10,16,19,27H,11-15H2.
What are the key properties of [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate?
[1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate has a molecular weight of 489.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxoisoindol-2-yl)-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] imidazole-1-carboxylate is sourced from PubChem (CID 175678833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).