3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

C26H32N2O4 — CID 110579743

IUPAC3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)cc2C)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C26H32N2O4/c1-17-10-11-21(19(3)16-17)23-24(27(12-14-31-5)13-15-32-6)26(30)28(25(23)29)22-9-7-8-18(2)20(22)4/h7-11,16H,12-15H2,1-6H3
InChIKeyCAQUUCAYQLGJCD-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.80
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione

3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110579743) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110579743
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)cc2C)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C26H32N2O4/c1-17-10-11-21(19(3)16-17)23-24(27(12-14-31-5)13-15-32-6)26(30)28(25(23)29)22-9-7-8-18(2)20(22)4/h7-11,16H,12-15H2,1-6H3
InChIKeyCAQUUCAYQLGJCD-UHFFFAOYSA-N
XLogP3.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.80
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-[benzyl(ethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579739
3-[bis(2-methoxyethyl)amino]-4-(2,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110578502
3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550673
3-[bis(2-methoxyethyl)amino]-4-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578916
1-(2,3-dimethylphenyl)-3-(2,4-dimethylphenyl)-4-(2-hydroxyethylsulfanyl)pyrrole-2,5-dione
CID 110579756
3-(2,4-dimethylphenyl)-4-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110580396
3-[bis(2-methoxyethyl)amino]-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577720
N-[4-[4-[bis(2-methoxyethyl)amino]-1-(2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563690
3-(2,4-dimethylphenyl)-4-(N-ethylanilino)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580280
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574671
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579496
3-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)-4-[2-hydroxyethyl(methyl)amino]pyrrole-2,5-dione
CID 110579712

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione (CID 110579743) is 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(C)cc2C)C(=O)N(c2cccc(C)c2C)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is CAQUUCAYQLGJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-17-10-11-21(19(3)16-17)23-24(27(12-14-31-5)13-15-32-6)26(30)28(25(23)29)22-9-7-8-18(2)20(22)4/h7-11,16H,12-15H2,1-6H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 436.55 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110579743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).