3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione

C19H20N2O3 — CID 14224081

IUPAC3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(ON(Cc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-20-18(22)12-17(19(20)23)24-21(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyNTTLXNODOIKGPJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.38
Rot. Bonds6

About 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione

3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione (PubChem CID 14224081) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione
PubChem CID14224081
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(ON(Cc2ccccc2)Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-20-18(22)12-17(19(20)23)24-21(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyNTTLXNODOIKGPJ-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(dibenzylamino)oxy-1-methylpyrrolidine-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-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione (CID 14224081) is 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(ON(Cc2ccccc2)Cc2ccccc2)C1=O.
What is the InChIKey of 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione?
The InChIKey is NTTLXNODOIKGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-18(22)12-17(19(20)23)24-21(13-15-8-4-2-5-9-15)14-16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3.
What are the key properties of 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione?
3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)oxy-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 14224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).