3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione

C25H30N2O3 — CID 110566335

IUPAC3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C25H30N2O3/c1-4-6-7-13-18-27-24(28)22(20-16-11-12-17-21(20)30-3)23(25(27)29)26(5-2)19-14-9-8-10-15-19/h8-12,14-17H,4-7,13,18H2,1-3H3
InChIKeyRWPFTWPKISIKLC-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.88
Rot. Bonds10

About 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione

3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110566335) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110566335
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O
InChIInChI=1S/C25H30N2O3/c1-4-6-7-13-18-27-24(28)22(20-16-11-12-17-21(20)30-3)23(25(27)29)26(5-2)19-14-9-8-10-15-19/h8-12,14-17H,4-7,13,18H2,1-3H3
InChIKeyRWPFTWPKISIKLC-UHFFFAOYSA-N
XLogP4.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110566335) is 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione is CCCCCCN1C(=O)C(c2ccccc2OC)=C(N(CC)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is RWPFTWPKISIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-6-7-13-18-27-24(28)22(20-16-11-12-17-21(20)30-3)23(25(27)29)26(5-2)19-14-9-8-10-15-19/h8-12,14-17H,4-7,13,18H2,1-3H3.
What are the key properties of 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 406.53 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110566335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).