3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione

C24H22N2O3 — CID 110578260

IUPAC3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccco3)C2=O)c(C)c1
InChIInChI=1S/C24H22N2O3/c1-16-11-12-20(17(2)14-16)21-22(25(3)18-8-5-4-6-9-18)24(28)26(23(21)27)15-19-10-7-13-29-19/h4-14H,15H2,1-3H3
InChIKeySUSZFWQRWJAUOU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.31
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110578260) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110578260
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccco3)C2=O)c(C)c1
InChIInChI=1S/C24H22N2O3/c1-16-11-12-20(17(2)14-16)21-22(25(3)18-8-5-4-6-9-18)24(28)26(23(21)27)15-19-10-7-13-29-19/h4-14H,15H2,1-3H3
InChIKeySUSZFWQRWJAUOU-UHFFFAOYSA-N
XLogP4.31
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110543477
3-benzylsulfanyl-4-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110578268
3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110578265
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110578118
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110578203
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377
1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
3-[bis(2-methoxyethyl)amino]-4-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110567972
1-(3-butoxypropyl)-3-(2,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110579077
1-butyl-3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110578475
3-(2,5-dimethylanilino)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600521

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione (CID 110578260) is 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione is Cc1ccc(C2=C(N(C)c3ccccc3)C(=O)N(Cc3ccco3)C2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is SUSZFWQRWJAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-11-12-20(17(2)14-16)21-22(25(3)18-8-5-4-6-9-18)24(28)26(23(21)27)15-19-10-7-13-29-19/h4-14H,15H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 386.45 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110578260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).