3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

C26H30N2O4 — CID 110548440

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(C)c(C)c3)=C(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C26H30N2O4/c1-16-6-9-21(12-17(16)2)23-24(27-13-18(3)32-19(4)14-27)26(30)28(25(23)29)15-20-7-10-22(31-5)11-8-20/h6-12,18-19H,13-15H2,1-5H3
InChIKeyUQGFJDLDPGTBAE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.70
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110548440) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID110548440
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(c3ccc(C)c(C)c3)=C(N3CC(C)OC(C)C3)C2=O)cc1
InChIInChI=1S/C26H30N2O4/c1-16-6-9-21(12-17(16)2)23-24(27-13-18(3)32-19(4)14-27)26(30)28(25(23)29)15-20-7-10-22(31-5)11-8-20/h6-12,18-19H,13-15H2,1-5H3
InChIKeyUQGFJDLDPGTBAE-UHFFFAOYSA-N
XLogP3.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.70
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

3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110548709
1-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110548464
1-(3-chloro-4-methylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557941
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558897
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572836
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
3-(3,4-dimethoxyphenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-prop-2-enylpyrrole-2,5-dione
CID 110564507
3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110543269
3-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110549212
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557364
3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578849

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 110548440) is 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is COc1ccc(CN2C(=O)C(c3ccc(C)c(C)c3)=C(N3CC(C)OC(C)C3)C2=O)cc1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is UQGFJDLDPGTBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-16-6-9-21(12-17(16)2)23-24(27-13-18(3)32-19(4)14-27)26(30)28(25(23)29)15-20-7-10-22(31-5)11-8-20/h6-12,18-19H,13-15H2,1-5H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 434.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110548440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).