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

C25H30N2O5 — CID 110547832

IUPAC3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(CCOC)CCOC)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O5/c1-5-32-21-12-8-19(9-13-21)22-23(26(14-16-30-3)15-17-31-4)25(29)27(24(22)28)20-10-6-18(2)7-11-20/h6-13H,5,14-17H2,1-4H3
InChIKeyGRCSPAHTWOFJDX-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.27
Rot. Bonds11

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

3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110547832) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110547832
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N(CCOC)CCOC)C(=O)N(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O5/c1-5-32-21-12-8-19(9-13-21)22-23(26(14-16-30-3)15-17-31-4)25(29)27(24(22)28)20-10-6-18(2)7-11-20/h6-13H,5,14-17H2,1-4H3
InChIKeyGRCSPAHTWOFJDX-UHFFFAOYSA-N
XLogP3.27
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-methoxyethyl)amino]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577493
3-[bis(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574671
3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110564973
3-[bis(2-methoxyethyl)amino]-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577720
3-[bis(2-methoxyethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560491
3-[bis(2-methoxyethyl)amino]-1-(4-butylphenyl)-4-phenylpyrrole-2,5-dione
CID 110560916
3-[benzyl(ethyl)amino]-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560882
1-(4-ethoxyphenyl)-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573739
3-(4-ethoxyphenyl)-4-(4-methoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588348
3-[bis(2-methoxyethyl)amino]-1-(2,4-dimethylphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550673
1-(4-ethoxyphenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]-4-phenylpyrrole-2,5-dione
CID 110560884
3-[bis(2-methoxyethyl)amino]-1-(3-ethoxypropyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577145

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 110547832) is 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is CCOc1ccc(C2=C(N(CCOC)CCOC)C(=O)N(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is GRCSPAHTWOFJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-5-32-21-12-8-19(9-13-21)22-23(26(14-16-30-3)15-17-31-4)25(29)27(24(22)28)20-10-6-18(2)7-11-20/h6-13H,5,14-17H2,1-4H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 438.52 g/mol, XLogP of 3.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110547832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).