3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

C28H29N3O2 — CID 110577978

IUPAC3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)Cc3ccccc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C28H29N3O2/c1-19-11-16-24(20(2)17-19)25-26(30(5)18-21-9-7-6-8-10-21)28(33)31(27(25)32)23-14-12-22(13-15-23)29(3)4/h6-17H,18H2,1-5H3
InChIKeyYJDVKWSIQWSIAV-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.79
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110577978) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110577978
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)Cc3ccccc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C28H29N3O2/c1-19-11-16-24(20(2)17-19)25-26(30(5)18-21-9-7-6-8-10-21)28(33)31(27(25)32)23-14-12-22(13-15-23)29(3)4/h6-17H,18H2,1-5H3
InChIKeyYJDVKWSIQWSIAV-UHFFFAOYSA-N
XLogP4.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-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

Related Compounds

N-[4-[3-[benzyl(methyl)amino]-4-(2,4-dimethylphenyl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110579985
3-[benzyl(methyl)amino]-1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579784
3-[benzyl(methyl)amino]-1-[3-(dimethylamino)phenyl]-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550789
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
3-[benzyl(methyl)amino]-1-(2,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561826
3-[benzyl(methyl)amino]-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561649
3-[benzyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574257
3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540875
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110549718
N-[4-[4-[benzyl(methyl)amino]-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563550
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579665

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 110577978) is 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)Cc3ccccc3)C(=O)N(c3ccc(N(C)C)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is YJDVKWSIQWSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c1-19-11-16-24(20(2)17-19)25-26(30(5)18-21-9-7-6-8-10-21)28(33)31(27(25)32)23-14-12-22(13-15-23)29(3)4/h6-17H,18H2,1-5H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 439.56 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110577978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).