N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

C18H18N2O2 — CID 166530339

IUPACN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3
InChIKeyBWFJDYMLUJVWLR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.54
Rot. Bonds3

About N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide

N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (PubChem CID 166530339) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
PubChem CID166530339
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
SMILESCN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3
InChIKeyBWFJDYMLUJVWLR-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide 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 N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide (CID 166530339) is N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is CN(C)C(=O)c1ccc(CN2Cc3ccccc3C2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
The InChIKey is BWFJDYMLUJVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19(2)17(21)14-9-7-13(8-10-14)11-20-12-15-5-3-4-6-16(15)18(20)22/h3-10H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide?
N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 166530339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).