3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione

C25H22N2O3 — CID 110594168

IUPAC3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccccc3)C(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O3/c1-30-21-14-8-13-20(17-21)26-23-22(19-11-6-3-7-12-19)24(28)27(25(23)29)16-15-18-9-4-2-5-10-18/h2-14,17,26H,15-16H2,1H3
InChIKeyIBCRDQNCLPATQR-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.13
Rot. Bonds7

About 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione

3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110594168) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110594168
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCOc1cccc(NC2=C(c3ccccc3)C(=O)N(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C25H22N2O3/c1-30-21-14-8-13-20(17-21)26-23-22(19-11-6-3-7-12-19)24(28)27(25(23)29)16-15-18-9-4-2-5-10-18/h2-14,17,26H,15-16H2,1H3
InChIKeyIBCRDQNCLPATQR-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600377
1-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600332
3-anilino-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110594191
3-(3-methoxyanilino)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110594768
1-[(4-fluorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594690
1-[(3,4-dimethoxyphenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594942
3-(2,5-dimethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594208
1-[(2-chlorophenyl)methyl]-3-(3-methoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594265
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592596
1-(3-ethoxypropyl)-3-(3-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593126
3-(3-methoxyanilino)-4-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110593009
3-(4-chlorophenyl)-4-(3-fluoroanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110599051

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110594168) is 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is COc1cccc(NC2=C(c3ccccc3)C(=O)N(CCc3ccccc3)C2=O)c1.
What is the InChIKey of 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is IBCRDQNCLPATQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-30-21-14-8-13-20(17-21)26-23-22(19-11-6-3-7-12-19)24(28)27(25(23)29)16-15-18-9-4-2-5-10-18/h2-14,17,26H,15-16H2,1H3.
What are the key properties of 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 398.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyanilino)-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110594168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).