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

C25H30N2O6 — CID 110564973

IUPAC3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(OC)c(OC)c2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H30N2O6/c1-17-6-9-19(10-7-17)27-24(28)22(18-8-11-20(32-4)21(16-18)33-5)23(25(27)29)26(12-14-30-2)13-15-31-3/h6-11,16H,12-15H2,1-5H3
InChIKeyNGOVUSNAXRVWPA-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.89
Rot. Bonds11

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

3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110564973) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110564973
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccc(OC)c(OC)c2)C(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H30N2O6/c1-17-6-9-19(10-7-17)27-24(28)22(18-8-11-20(32-4)21(16-18)33-5)23(25(27)29)26(12-14-30-2)13-15-31-3/h6-11,16H,12-15H2,1-5H3
InChIKeyNGOVUSNAXRVWPA-UHFFFAOYSA-N
XLogP2.89
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110547832
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574671
3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550673
3-[bis(2-methoxyethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560491
3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110564982
3-anilino-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597256
3-[benzyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574257
3-[bis(2-methoxyethyl)amino]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577493
3-[benzyl(methyl)amino]-4-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)pyrrole-2,5-dione
CID 110564681
3-[bis(2-methoxyethyl)amino]-1-(3-chlorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545247
3-[bis(2-methoxyethyl)amino]-1-(4-butylphenyl)-4-phenylpyrrole-2,5-dione
CID 110560916
3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597249

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 110564973) is 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccc(OC)c(OC)c2)C(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is NGOVUSNAXRVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-17-6-9-19(10-7-17)27-24(28)22(18-8-11-20(32-4)21(16-18)33-5)23(25(27)29)26(12-14-30-2)13-15-31-3/h6-11,16H,12-15H2,1-5H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 454.52 g/mol, XLogP of 2.89, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110564973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).