3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione

C23H25NO4 — CID 56988423

IUPAC3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(C(C)(C)OOC(C)(C)c3ccccc3)c2)C1=O
InChIInChI=1S/C23H25NO4/c1-16-14-20(25)24(21(16)26)19-13-9-12-18(15-19)23(4,5)28-27-22(2,3)17-10-7-6-8-11-17/h6-15H,1-5H3
InChIKeyZJAQZCFSQKFDQR-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.62
Rot. Bonds6

About 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione

3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione (PubChem CID 56988423) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
PubChem CID56988423
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2cccc(C(C)(C)OOC(C)(C)c3ccccc3)c2)C1=O
InChIInChI=1S/C23H25NO4/c1-16-14-20(25)24(21(16)26)19-13-9-12-18(15-19)23(4,5)28-27-22(2,3)17-10-7-6-8-11-17/h6-15H,1-5H3
InChIKeyZJAQZCFSQKFDQR-UHFFFAOYSA-N
XLogP4.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-tert-butylperoxypropan-2-yl)phenyl]-3,4-dimethylpyrrole-2,5-dione
CID 57135068
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 880984
3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
CID 113224926
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
2-phenylpropan-2-yloxy 2-(3-methyl-2,5-dioxopyrrol-1-yl)ethaneperoxoate
CID 154448019
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
3-methyl-1-[4-[[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460051
1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
CID 59193557
1-(1,3-dioxo-2-benzofuran-5-yl)-3-methylpyrrole-2,5-dione
CID 88791034
1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylpyrrole-2,5-dione
CID 21321064
3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl 2-phenylpropan-2-yloxy carbonate
CID 57098739

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione (CID 56988423) is 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione is CC1=CC(=O)N(c2cccc(C(C)(C)OOC(C)(C)c3ccccc3)c2)C1=O.
What is the InChIKey of 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione?
The InChIKey is ZJAQZCFSQKFDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-14-20(25)24(21(16)26)19-13-9-12-18(15-19)23(4,5)28-27-22(2,3)17-10-7-6-8-11-17/h6-15H,1-5H3.
What are the key properties of 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione?
3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione has a molecular weight of 379.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 56988423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).