3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione

C28H37NO2 — CID 175835841

IUPAC3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C(C)C)c1C1C(=O)NC(=O)C1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H37NO2/c1-15(2)19-11-9-12-20(16(3)4)23(19)25-26(28(31)29-27(25)30)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18,25-26H,1-8H3,(H,29,30,31)
InChIKeyUHSZKSBQOSJHAQ-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.70
Rot. Bonds6

About 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione

3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 175835841) has the molecular formula C28H37NO2 and a molecular weight of 419.61 g/mol. Its IUPAC name is 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID175835841
Molecular FormulaC28H37NO2
Molecular Weight419.61 g/mol
Exact Mass419.28
IUPAC Name3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C(C)C)c1C1C(=O)NC(=O)C1c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C28H37NO2/c1-15(2)19-11-9-12-20(16(3)4)23(19)25-26(28(31)29-27(25)30)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18,25-26H,1-8H3,(H,29,30,31)
InChIKeyUHSZKSBQOSJHAQ-UHFFFAOYSA-N
XLogP6.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
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3-methyl-6-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione (CID 175835841) is 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione is CC(C)c1cccc(C(C)C)c1C1C(=O)NC(=O)C1c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is UHSZKSBQOSJHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO2/c1-15(2)19-11-9-12-20(16(3)4)23(19)25-26(28(31)29-27(25)30)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18,25-26H,1-8H3,(H,29,30,31).
What are the key properties of 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione?
3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 419.61 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 175835841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).