2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione

C21H18N2O4 — CID 100990759

IUPAC2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18N2O4/c1-12(22-18(24)14-7-3-4-8-15(14)19(22)25)11-13(2)23-20(26)16-9-5-6-10-17(16)21(23)27/h3-10,12-13H,11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGBYKKPFBINKJHS-CHWSQXEVSA-N
MW362.39 g/mol
LogP2.75
Rot. Bonds4

About 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione

2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione (PubChem CID 100990759) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
PubChem CID100990759
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
SMILESC[C@H](C[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H18N2O4/c1-12(22-18(24)14-7-3-4-8-15(14)19(22)25)11-13(2)23-20(26)16-9-5-6-10-17(16)21(23)27/h3-10,12-13H,11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGBYKKPFBINKJHS-CHWSQXEVSA-N
XLogP2.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628
CID 163871249
CID 163871249
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
methyl (3R)-3-(1,3-dioxoisoindol-2-yl)butanoate
CID 96582705
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanal
CID 18607607
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
(2R)-2-(1,3-dioxoisoindol-2-yl)propanethioamide
CID 833261
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione (CID 100990759) is 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione is C[C@H](C[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione?
The InChIKey is GBYKKPFBINKJHS-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12(22-18(24)14-7-3-4-8-15(14)19(22)25)11-13(2)23-20(26)16-9-5-6-10-17(16)21(23)27/h3-10,12-13H,11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione?
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione has a molecular weight of 362.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 100990759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).