3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

C28H28N2O4 — CID 110563850

IUPAC3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O4/c1-4-29(22-13-9-6-10-14-22)26-25(21-15-16-23(33-2)24(19-21)34-3)27(31)30(28(26)32)18-17-20-11-7-5-8-12-20/h5-16,19H,4,17-18H2,1-3H3
InChIKeyAUGBEUUMIDQSIY-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.55
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110563850) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110563850
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O4/c1-4-29(22-13-9-6-10-14-22)26-25(21-15-16-23(33-2)24(19-21)34-3)27(31)30(28(26)32)18-17-20-11-7-5-8-12-20/h5-16,19H,4,17-18H2,1-3H3
InChIKeyAUGBEUUMIDQSIY-UHFFFAOYSA-N
XLogP4.55
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110563965
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909
3-[benzyl(ethyl)amino]-4-(3,4-dimethoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110564113
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-propylpyrrole-2,5-dione
CID 110548870
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-(3,4-dimethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563846
3-(3,4-dimethylphenyl)-1-ethyl-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110548909
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110549357

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110563850) is 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is AUGBEUUMIDQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-4-29(22-13-9-6-10-14-22)26-25(21-15-16-23(33-2)24(19-21)34-3)27(31)30(28(26)32)18-17-20-11-7-5-8-12-20/h5-16,19H,4,17-18H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 456.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110563850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).