3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione

C25H30N2O3 — CID 110588965

IUPAC3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(CCOC(C)C)C2=O)cc1C
InChIInChI=1S/C25H30N2O3/c1-15(2)30-13-12-27-24(28)22(20-11-10-16(3)18(5)14-20)23(25(27)29)26-21-9-7-8-17(4)19(21)6/h7-11,14-15,26H,12-13H2,1-6H3
InChIKeyCEKGJQPLIMDBBT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.54
Rot. Bonds7

About 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione

3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione (PubChem CID 110588965) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
PubChem CID110588965
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(CCOC(C)C)C2=O)cc1C
InChIInChI=1S/C25H30N2O3/c1-15(2)30-13-12-27-24(28)22(20-11-10-16(3)18(5)14-20)23(25(27)29)26-21-9-7-8-17(4)19(21)6/h7-11,14-15,26H,12-13H2,1-6H3
InChIKeyCEKGJQPLIMDBBT-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110589015
N-[4-[4-(3,4-dimethylanilino)-2,5-dioxo-1-(2-propan-2-yloxyethyl)pyrrol-3-yl]phenyl]acetamide
CID 110596486
1-(3-butoxypropyl)-3-(3-chloro-2-methylanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589142
3-(2,3-dimethylanilino)-4-[4-(2-methylpropoxy)phenyl]-1-propylpyrrole-2,5-dione
CID 110590039
3-(3-chloro-2-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590935
3-(1,3-benzodioxol-5-ylamino)-4-(3,4-dimethylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110549200
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110588547
3-(3-chloro-2-methylanilino)-4-(4-ethoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110587918
3-(3,4-dimethoxyphenyl)-4-(2,3-dimethylanilino)-1-propan-2-ylpyrrole-2,5-dione
CID 110597154
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110586332
3-(5-chloro-2-methylanilino)-4-phenyl-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110594677
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110589264

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione (CID 110588965) is 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione is Cc1ccc(C2=C(Nc3cccc(C)c3C)C(=O)N(CCOC(C)C)C2=O)cc1C.
What is the InChIKey of 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
The InChIKey is CEKGJQPLIMDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-15(2)30-13-12-27-24(28)22(20-11-10-16(3)18(5)14-20)23(25(27)29)26-21-9-7-8-17(4)19(21)6/h7-11,14-15,26H,12-13H2,1-6H3.
What are the key properties of 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione?
3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione has a molecular weight of 406.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylanilino)-4-(3,4-dimethylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110588965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).