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

C26H32N2O4 — CID 110550673

IUPAC3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C26H32N2O4/c1-17-7-10-22(20(4)15-17)28-25(29)23(21-9-8-18(2)19(3)16-21)24(26(28)30)27(11-13-31-5)12-14-32-6/h7-10,15-16H,11-14H2,1-6H3
InChIKeyVGHUWLJKVCVQJC-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.80
Rot. Bonds9

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

3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 110550673) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
PubChem CID110550673
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C26H32N2O4/c1-17-7-10-22(20(4)15-17)28-25(29)23(21-9-8-18(2)19(3)16-21)24(26(28)30)27(11-13-31-5)12-14-32-6/h7-10,15-16H,11-14H2,1-6H3
InChIKeyVGHUWLJKVCVQJC-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-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550669
3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110564973
3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethylphenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110549163
3-[bis(2-methoxyethyl)amino]-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579743
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574671
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-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110547832
3-[benzyl(ethyl)amino]-1-(4-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550604
3-[benzyl(methyl)amino]-1-(2,4-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561826
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110583763
3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110550529

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione (CID 110550673) is 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(C)c(C)c2)C(=O)N(c2ccc(C)cc2C)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is VGHUWLJKVCVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-17-7-10-22(20(4)15-17)28-25(29)23(21-9-8-18(2)19(3)16-21)24(26(28)30)27(11-13-31-5)12-14-32-6/h7-10,15-16H,11-14H2,1-6H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-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-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110550673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).