(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione

C23H35NO2 — CID 100986873

IUPAC(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C23H35NO2/c1-14-18(23(8,9)10)20(26)24(19(14)25)17-13-15(21(2,3)4)11-12-16(17)22(5,6)7/h11-14,18H,1-10H3/t14-,18-/m1/s1
InChIKeyPHIBCYDDEBBHRX-RDTXWAMCSA-N
MW357.54 g/mol
LogP5.45
Rot. Bonds1

About (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione

(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 100986873) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione
PubChem CID100986873
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@H]1C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C23H35NO2/c1-14-18(23(8,9)10)20(26)24(19(14)25)17-13-15(21(2,3)4)11-12-16(17)22(5,6)7/h11-14,18H,1-10H3/t14-,18-/m1/s1
InChIKeyPHIBCYDDEBBHRX-RDTXWAMCSA-N
XLogP5.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione (CID 100986873) is (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione is C[C@H]1C(=O)N(c2cc(C(C)(C)C)ccc2C(C)(C)C)C(=O)[C@@H]1C(C)(C)C.
What is the InChIKey of (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is PHIBCYDDEBBHRX-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H35NO2/c1-14-18(23(8,9)10)20(26)24(19(14)25)17-13-15(21(2,3)4)11-12-16(17)22(5,6)7/h11-14,18H,1-10H3/t14-,18-/m1/s1.
What are the key properties of (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione?
(3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 357.54 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-tert-butyl-1-(2,5-ditert-butylphenyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 100986873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).