4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide

C13H15N3O3 — CID 827748

IUPAC4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)14-16-11(17)7-8-12(16)18/h3-6H,7-8H2,1-2H3,(H,14,19)
InChIKeyMLOZTSHTXHUEDV-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.55
Rot. Bonds3

About 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide

4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 827748) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID827748
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NN2C(=O)CCC2=O)cc1
InChIInChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)14-16-11(17)7-8-12(16)18/h3-6H,7-8H2,1-2H3,(H,14,19)
InChIKeyMLOZTSHTXHUEDV-UHFFFAOYSA-N
XLogP0.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzamide
CID 6735800
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
CID 69397190
CID 69397190
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-(dimethylamino)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 122145655
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 5239419

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 827748) is 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide is CN(C)c1ccc(C(=O)NN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is MLOZTSHTXHUEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15(2)10-5-3-9(4-6-10)13(19)14-16-11(17)7-8-12(16)18/h3-6H,7-8H2,1-2H3,(H,14,19).
What are the key properties of 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide?
4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 827748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).