3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione

C14H16N2O3 — CID 166341887

IUPAC3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione
SMILESCOCCN(C)C1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-15(8-9-19-2)12-10-13(17)16(14(12)18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyAYZBVTAASYBLTH-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.02
Rot. Bonds5

About 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione

3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione (PubChem CID 166341887) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione
PubChem CID166341887
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione
SMILESCOCCN(C)C1=CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-15(8-9-19-2)12-10-13(17)16(14(12)18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyAYZBVTAASYBLTH-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-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-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione (CID 166341887) is 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione is COCCN(C)C1=CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione?
The InChIKey is AYZBVTAASYBLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15(8-9-19-2)12-10-13(17)16(14(12)18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione?
3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione has a molecular weight of 260.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methyl)amino]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 166341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).