(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione

C29H28N2O4 — CID 98590360

IUPAC(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC2=C1C(=O)N(c1ccc(C)c(C)c1)C2=O
InChIInChI=1S/C29H28N2O4/c1-15-6-8-21(11-17(15)3)30-25(32)14-23(27(30)33)20-10-19(5)26-24(13-20)28(34)31(29(26)35)22-9-7-16(2)18(4)12-22/h6-12,20,23H,13-14H2,1-5H3/t20-,23-/m1/s1
InChIKeyCEKZBXFFPQSDMH-NFBKMPQASA-N
MW468.55 g/mol
LogP4.64
Rot. Bonds3

About (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione

(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione (PubChem CID 98590360) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
PubChem CID98590360
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione
SMILESCC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC2=C1C(=O)N(c1ccc(C)c(C)c1)C2=O
InChIInChI=1S/C29H28N2O4/c1-15-6-8-21(11-17(15)3)30-25(32)14-23(27(30)33)20-10-19(5)26-24(13-20)28(34)31(29(26)35)22-9-7-16(2)18(4)12-22/h6-12,20,23H,13-14H2,1-5H3/t20-,23-/m1/s1
InChIKeyCEKZBXFFPQSDMH-NFBKMPQASA-N
XLogP4.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-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 (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The IUPAC name of (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione (CID 98590360) is (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione.
What is the SMILES notation for (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The canonical SMILES for (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione is CC1=C[C@@H]([C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)CC2=C1C(=O)N(c1ccc(C)c(C)c1)C2=O.
What is the InChIKey of (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
The InChIKey is CEKZBXFFPQSDMH-NFBKMPQASA-N. The full InChI is InChI=1S/C29H28N2O4/c1-15-6-8-21(11-17(15)3)30-25(32)14-23(27(30)33)20-10-19(5)26-24(13-20)28(34)31(29(26)35)22-9-7-16(2)18(4)12-22/h6-12,20,23H,13-14H2,1-5H3/t20-,23-/m1/s1.
What are the key properties of (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione?
(5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione has a molecular weight of 468.55 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3,4-dimethylphenyl)-5-[(3R)-1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-7-methyl-4,5-dihydroisoindole-1,3-dione is sourced from PubChem (CID 98590360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).