3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione

C24H28N2O5 — CID 110578509

IUPAC3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C24H28N2O5/c1-7-10-26-23(27)20(17-9-8-14(2)11-15(17)3)21(24(26)28)25-16-12-18(29-4)22(31-6)19(13-16)30-5/h8-9,11-13,25H,7,10H2,1-6H3
InChIKeyJQIOMHRUGPQVQL-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.93
Rot. Bonds8

About 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (PubChem CID 110578509) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
PubChem CID110578509
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCCCN1C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C24H28N2O5/c1-7-10-26-23(27)20(17-9-8-14(2)11-15(17)3)21(24(26)28)25-16-12-18(29-4)22(31-6)19(13-16)30-5/h8-9,11-13,25H,7,10H2,1-6H3
InChIKeyJQIOMHRUGPQVQL-UHFFFAOYSA-N
XLogP3.93
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110578548
3-(3,4-dimethylphenyl)-1-pentyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110548797
3-(4-propan-2-yloxyphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110575183
1-(3-ethoxypropyl)-3-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110573092
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559954
3-[bis(2-methoxyethyl)amino]-4-(2,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110578502
3-(3,4-dimethoxyphenyl)-4-(4-methoxyanilino)-1-propylpyrrole-2,5-dione
CID 110596911
3-[4-(dimethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597587
3-(1,3-benzodioxol-5-ylamino)-4-(2,4-dimethylphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110579114
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110578488
3-(4-fluorophenyl)-1-(2-propan-2-yloxyethyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110543913
3-[4-(diethylamino)anilino]-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110597586

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (CID 110578509) is 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is CCCN1C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=C(c2ccc(C)cc2C)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The InChIKey is JQIOMHRUGPQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-7-10-26-23(27)20(17-9-8-14(2)11-15(17)3)21(24(26)28)25-16-12-18(29-4)22(31-6)19(13-16)30-5/h8-9,11-13,25H,7,10H2,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione has a molecular weight of 424.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110578509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).