3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

C24H28N2O5 — CID 110587964

IUPAC3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-6-31-18-9-7-16(8-10-18)21-22(24(28)26(23(21)27)14-15(2)3)25-17-11-19(29-4)13-20(12-17)30-5/h7-13,15,25H,6,14H2,1-5H3
InChIKeyILWCHSFSYGMIBH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.95
Rot. Bonds9

About 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110587964) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110587964
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-6-31-18-9-7-16(8-10-18)21-22(24(28)26(23(21)27)14-15(2)3)25-17-11-19(29-4)13-20(12-17)30-5/h7-13,15,25H,6,14H2,1-5H3
InChIKeyILWCHSFSYGMIBH-UHFFFAOYSA-N
XLogP3.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.95
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-(4-chlorophenyl)-4-(3,5-dimethoxyanilino)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110599479
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110587983
3-(3-methoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110590156
3-(3,4-dimethylanilino)-4-(4-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110593067
3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110587659
3-(3,5-dimethoxyanilino)-4-[4-(2-methylpropoxy)phenyl]-1-prop-2-enylpyrrole-2,5-dione
CID 110590180
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
3-(3-methoxyanilino)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594768
3-(3-ethoxyanilino)-1-ethyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590046
3-(3,5-dimethoxyanilino)-4-(4-fluorophenyl)-1-propylpyrrole-2,5-dione
CID 110586207
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-prop-2-enylpyrrole-2,5-dione
CID 110588010
3-(4-fluoroanilino)-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110586482

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110587964) is 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is CCOc1ccc(C2=C(Nc3cc(OC)cc(OC)c3)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is ILWCHSFSYGMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-6-31-18-9-7-16(8-10-18)21-22(24(28)26(23(21)27)14-15(2)3)25-17-11-19(29-4)13-20(12-17)30-5/h7-13,15,25H,6,14H2,1-5H3.
What are the key properties of 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 424.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110587964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).