1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

C23H26N2O5 — CID 110579966

IUPAC1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccc(C)cc3C)=C(N(C)CCO)C2=O)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-14-6-8-17(15(2)12-14)20-21(24(3)10-11-26)23(28)25(22(20)27)18-9-7-16(29-4)13-19(18)30-5/h6-9,12-13,26H,10-11H2,1-5H3
InChIKeyWXFBNOHXKNHLQY-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.53
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione

1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (PubChem CID 110579966) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
PubChem CID110579966
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccc(C)cc3C)=C(N(C)CCO)C2=O)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-14-6-8-17(15(2)12-14)20-21(24(3)10-11-26)23(28)25(22(20)27)18-9-7-16(29-4)13-19(18)30-5/h6-9,12-13,26H,10-11H2,1-5H3
InChIKeyWXFBNOHXKNHLQY-UHFFFAOYSA-N
XLogP2.53
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579712
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547738
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579496
3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110577824
1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110547467
1-(2,5-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554271
1-(5-chloro-2-methylphenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557285
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579209
1-(3,5-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110548184
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110578827
3-(2,4-dimethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110578029

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione (CID 110579966) is 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccc(C)cc3C)=C(N(C)CCO)C2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
The InChIKey is WXFBNOHXKNHLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-6-8-17(15(2)12-14)20-21(24(3)10-11-26)23(28)25(22(20)27)18-9-7-16(29-4)13-19(18)30-5/h6-9,12-13,26H,10-11H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2,4-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione is sourced from PubChem (CID 110579966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).