1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

C26H24N2O3 — CID 53254380

IUPAC1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(C)cc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-18-9-13-20(14-10-18)23-24(27(2)21-7-5-4-6-8-21)26(30)28(25(23)29)17-19-11-15-22(31-3)16-12-19/h4-16H,17H2,1-3H3
InChIKeySOCBDJISVVKZHX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.42
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione

1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 53254380) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID53254380
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(C)cc3)=C(N(C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-18-9-13-20(14-10-18)23-24(27(2)21-7-5-4-6-8-21)26(30)28(25(23)29)17-19-11-15-22(31-3)16-12-19/h4-16H,17H2,1-3H3
InChIKeySOCBDJISVVKZHX-UHFFFAOYSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.42
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

3-(3,4-dimethoxyphenyl)-4-(N-methylanilino)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110563883
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110558864
1-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110556703
1-[(4-fluorophenyl)methyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110559827
3-[2-hydroxyethyl(methyl)amino]-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571952
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
1-benzyl-3-(3,4-dimethylphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110548758
3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110575054
3-[benzyl(ethyl)amino]-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558909
3-(N-methylanilino)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572586
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544142
3-(4-methoxyanilino)-1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600407

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 53254380) is 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(c3ccc(C)cc3)=C(N(C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is SOCBDJISVVKZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-9-13-20(14-10-18)23-24(27(2)21-7-5-4-6-8-21)26(30)28(25(23)29)17-19-11-15-22(31-3)16-12-19/h4-16H,17H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione?
1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 53254380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).