3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide

C21H22N2O5 — CID 168518416

IUPAC3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H22N2O5/c1-5-22(6-2)19(24)13-11-16(18(28-4)17(12-13)27-3)23-20(25)14-9-7-8-10-15(14)21(23)26/h7-12H,5-6H2,1-4H3
InChIKeyUSWDFSRUODCIRL-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.99
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide

3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide (PubChem CID 168518416) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide
PubChem CID168518416
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H22N2O5/c1-5-22(6-2)19(24)13-11-16(18(28-4)17(12-13)27-3)23-20(25)14-9-7-8-10-15(14)21(23)26/h7-12H,5-6H2,1-4H3
InChIKeyUSWDFSRUODCIRL-UHFFFAOYSA-N
XLogP2.99
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide 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-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide (CID 168518416) is 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide is CCN(CC)C(=O)c1cc(OC)c(OC)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide?
The InChIKey is USWDFSRUODCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-22(6-2)19(24)13-11-16(18(28-4)17(12-13)27-3)23-20(25)14-9-7-8-10-15(14)21(23)26/h7-12H,5-6H2,1-4H3.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide?
3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4,5-dimethoxybenzamide is sourced from PubChem (CID 168518416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).