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

C17H14N2O5 — CID 4923492

IUPACN-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C17H14N2O5/c1-23-13-8-7-10(9-14(13)24-2)15(20)18-19-16(21)11-5-3-4-6-12(11)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyLHICILRFYKWYIM-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.64
Rot. Bonds4

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

N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide (PubChem CID 4923492) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
PubChem CID4923492
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1OC
InChIInChI=1S/C17H14N2O5/c1-23-13-8-7-10(9-14(13)24-2)15(20)18-19-16(21)11-5-3-4-6-12(11)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyLHICILRFYKWYIM-UHFFFAOYSA-N
XLogP1.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
2-(3-cyclopentyloxy-4-methoxyphenyl)-N-(1,3-dioxoisoindol-2-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 142665259
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
CID 2834281
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3,4-dimethoxybenzamide
CID 22782209
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
3,4-dimethoxy-N-[(Z)-(3-oxoinden-1-ylidene)amino]benzamide
CID 6027685
N'-(9H-fluoren-9-yl)-3,4-dimethoxybenzohydrazide
CID 26619016
N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 1010974
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methoxybenzoic acid
CID 71561776

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide (CID 4923492) is N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1OC.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is LHICILRFYKWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-13-8-7-10(9-14(13)24-2)15(20)18-19-16(21)11-5-3-4-6-12(11)17(19)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide?
N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 326.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 4923492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).