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

C25H30N2O5 — CID 110565402

IUPAC3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccccc2OC)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C25H30N2O5/c1-30-17-15-26(16-18-31-2)23-22(20-11-7-8-12-21(20)32-3)24(28)27(25(23)29)14-13-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3
InChIKeyGSFDMGPTOPIHEO-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.61
Rot. Bonds12

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

3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110565402) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110565402
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCOCCN(CCOC)C1=C(c2ccccc2OC)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C25H30N2O5/c1-30-17-15-26(16-18-31-2)23-22(20-11-7-8-12-21(20)32-3)24(28)27(25(23)29)14-13-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3
InChIKeyGSFDMGPTOPIHEO-UHFFFAOYSA-N
XLogP2.61
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.61
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-(2-methoxyphenyl)-1-(2-phenylethyl)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-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565374
3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110565401
3-[benzyl(ethyl)amino]-1-butyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565810
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(2-methoxyphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110566173
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110566383
3-[benzyl(ethyl)amino]-4-(2-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110565636
1-(3-butoxypropyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110566422
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566420
3-[bis(2-methoxyethyl)amino]-4-(2,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110578502

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110565402) is 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is COCCN(CCOC)C1=C(c2ccccc2OC)C(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is GSFDMGPTOPIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-17-15-26(16-18-31-2)23-22(20-11-7-8-12-21(20)32-3)24(28)27(25(23)29)14-13-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 438.52 g/mol, XLogP of 2.61, 12 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-(2-methoxyphenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).