1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione

C26H24N2O3 — CID 110558864

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C(c3ccccc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-27(21-11-7-4-8-12-21)24-23(20-9-5-3-6-10-20)25(29)28(26(24)30)18-17-19-13-15-22(31-2)16-14-19/h3-16H,17-18H2,1-2H3
InChIKeyRVOCDIPFWDTXJP-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.15
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione

1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110558864) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110558864
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
SMILESCOc1ccc(CCN2C(=O)C(c3ccccc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-27(21-11-7-4-8-12-21)24-23(20-9-5-3-6-10-20)25(29)28(26(24)30)18-17-19-13-15-22(31-2)16-14-19/h3-16H,17-18H2,1-2H3
InChIKeyRVOCDIPFWDTXJP-UHFFFAOYSA-N
XLogP4.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 53254380
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
3-(N-methylanilino)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560237
1-[(4-fluorophenyl)methyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110559827
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
3-(4-ethoxyphenyl)-4-(N-methylanilino)-1-pentylpyrrole-2,5-dione
CID 110546523
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110558845
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190
3-(2,5-dimethoxyanilino)-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110594208
3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione (CID 110558864) is 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is COc1ccc(CCN2C(=O)C(c3ccccc3)=C(N(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is RVOCDIPFWDTXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-27(21-11-7-4-8-12-21)24-23(20-9-5-3-6-10-20)25(29)28(26(24)30)18-17-19-13-15-22(31-2)16-14-19/h3-16H,17-18H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione?
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110558864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).