ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione

C25H30N2O4 — CID 143852340

IUPACethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC.CC.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4.2C2H6/c1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyPCORQOGJSLSWSA-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.52
Rot. Bonds2

About ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione

ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione (PubChem CID 143852340) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
PubChem CID143852340
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Nameethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
SMILESCC.CC.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C21H18N2O4.2C2H6/c1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyPCORQOGJSLSWSA-UHFFFAOYSA-N
XLogP4.52
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.52
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

2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 59850696
5-[2-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 144909699
ethane;2-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 155725079
5-[[2-[4-[4-[5-[dimethyl-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]silyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-dimethylsilyl]-2-methylisoindole-1,3-dione
CID 140843908
2-methyl-1,3-dioxoisoindole-5-diazonium
CID 101332982
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
(2-methyl-1,3-dioxoisoindol-5-yl) thiohypochlorite
CID 163466743
2-methyl-5-[4-[2-[4-[2-(3-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione;2-methyl-5-[4-[2-[4-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 159164214
5-(1-bromoethyl)-2-methylisoindole-1,3-dione
CID 22079958
2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 161253964
ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
CID 169161651

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione (CID 143852340) is ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione is CC.CC.CN1C(=O)c2ccc(C(C)(C)c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?
The InChIKey is PCORQOGJSLSWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4.2C2H6/c1-21(2,11-5-7-13-15(9-11)19(26)22(3)17(13)24)12-6-8-14-16(10-12)20(27)23(4)18(14)25;2*1-2/h5-10H,1-4H3;2*1-2H3.
What are the key properties of ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione?
ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione has a molecular weight of 422.53 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 143852340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).