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

C23H26N2O5 — CID 110578548

IUPAC3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C23H26N2O5/c1-7-25-22(26)19(16-9-8-13(2)10-14(16)3)20(23(25)27)24-15-11-17(28-4)21(30-6)18(12-15)29-5/h8-12,24H,7H2,1-6H3
InChIKeyWGHFSHSTOHNTST-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.54
Rot. Bonds7

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

3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (PubChem CID 110578548) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
PubChem CID110578548
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
SMILESCCN1C(=O)C(Nc2cc(OC)c(OC)c(OC)c2)=C(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C23H26N2O5/c1-7-25-22(26)19(16-9-8-13(2)10-14(16)3)20(23(25)27)24-15-11-17(28-4)21(30-6)18(12-15)29-5/h8-12,24H,7H2,1-6H3
InChIKeyWGHFSHSTOHNTST-UHFFFAOYSA-N
XLogP3.54
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.54
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-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110578509
1-(3-ethoxypropyl)-3-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110573092
3-(3,4-dimethylphenyl)-1-pentyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110548797
1-(2-methylpropyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559954
3-(4-propan-2-yloxyphenyl)-1-propyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110575183
1-ethyl-3-(2-methoxyphenyl)-4-(4-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 110597612
1-(furan-2-ylmethyl)-3-phenyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110559128
3-(1,3-benzodioxol-5-ylamino)-4-(2,4-dimethylphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110579114
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
3-(4-fluorophenyl)-1-(2-propan-2-yloxyethyl)-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110543913
3-(4-nitrophenyl)-1-prop-2-enyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione
CID 110541799
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione (CID 110578548) is 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is CCN1C(=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-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
The InChIKey is WGHFSHSTOHNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-7-25-22(26)19(16-9-8-13(2)10-14(16)3)20(23(25)27)24-15-11-17(28-4)21(30-6)18(12-15)29-5/h8-12,24H,7H2,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 3.54, 7 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-ethyl-4-(3,4,5-trimethoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110578548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).