3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C28H28N2O4 — CID 110576102

IUPAC3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O4/c1-5-29(21-11-7-6-8-12-21)26-25(20-15-17-22(18-16-20)34-19(2)3)27(31)30(28(26)32)23-13-9-10-14-24(23)33-4/h6-19H,5H2,1-4H3
InChIKeyDPNOWLPFQCTKGY-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.29
Rot. Bonds8

About 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110576102) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110576102
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C28H28N2O4/c1-5-29(21-11-7-6-8-12-21)26-25(20-15-17-22(18-16-20)34-19(2)3)27(31)30(28(26)32)23-13-9-10-14-24(23)33-4/h6-19H,5H2,1-4H3
InChIKeyDPNOWLPFQCTKGY-UHFFFAOYSA-N
XLogP5.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.29
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-(N-ethylanilino)-4-(4-propan-2-yloxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110575592
1-(2,5-difluorophenyl)-3-(N-ethylanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110558253
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110558061
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909
3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561966
3-(N-ethylanilino)-4-(4-fluorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110545874
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
3-(N-ethylanilino)-1-(2-fluorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577342
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110571477
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557687
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110547969
3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110576102) is 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CCN(C1=C(c2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2OC)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is DPNOWLPFQCTKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-5-29(21-11-7-6-8-12-21)26-25(20-15-17-22(18-16-20)34-19(2)3)27(31)30(28(26)32)23-13-9-10-14-24(23)33-4/h6-19H,5H2,1-4H3.
What are the key properties of 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 456.54 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-(2-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110576102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).