2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione

C17H16N2O2 — CID 732239

IUPAC2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O2/c1-18(11-13-7-3-2-4-8-13)12-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10H,11-12H2,1H3
InChIKeyQDTLCDRPBBCDMJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.37
Rot. Bonds4

About 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione

2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione (PubChem CID 732239) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione
PubChem CID732239
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione
SMILESCN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H16N2O2/c1-18(11-13-7-3-2-4-8-13)12-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10H,11-12H2,1H3
InChIKeyQDTLCDRPBBCDMJ-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-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 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione (CID 732239) is 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione is CN(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione?
The InChIKey is QDTLCDRPBBCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-18(11-13-7-3-2-4-8-13)12-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10H,11-12H2,1H3.
What are the key properties of 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione?
2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 732239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).