3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione

C27H26N2O4 — CID 110555615

IUPAC3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccc(OC)cc3)=C(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C27H26N2O4/c1-4-17-33-23-12-8-11-21(18-23)29-26(30)24(19-13-15-22(32-3)16-14-19)25(27(29)31)28(2)20-9-6-5-7-10-20/h5-16,18H,4,17H2,1-3H3
InChIKeyVUOBGAWJVQQGRR-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.90
Rot. Bonds8

About 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione

3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110555615) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110555615
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(c3ccc(OC)cc3)=C(N(C)c3ccccc3)C2=O)c1
InChIInChI=1S/C27H26N2O4/c1-4-17-33-23-12-8-11-21(18-23)29-26(30)24(19-13-15-22(32-3)16-14-19)25(27(29)31)28(2)20-9-6-5-7-10-20/h5-16,18H,4,17H2,1-3H3
InChIKeyVUOBGAWJVQQGRR-UHFFFAOYSA-N
XLogP4.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.90
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

1-(3-methoxyphenyl)-3-(N-methylanilino)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576319
3-(4-methoxyanilino)-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593907
1-(2,5-dimethylphenyl)-3-(N-methylanilino)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577448
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110557687
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110592505
3-[4-(dimethylamino)anilino]-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593898
3-[bis(2-methoxyethyl)amino]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577493
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methoxyphenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110555605
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593914
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione (CID 110555615) is 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(c3ccc(OC)cc3)=C(N(C)c3ccccc3)C2=O)c1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is VUOBGAWJVQQGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-17-33-23-12-8-11-21(18-23)29-26(30)24(19-13-15-22(32-3)16-14-19)25(27(29)31)28(2)20-9-6-5-7-10-20/h5-16,18H,4,17H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 442.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-(N-methylanilino)-1-(3-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110555615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).