4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide

C14H15N3O3 — CID 60933489

IUPAC4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-7-15-13(19)9-3-5-10(6-4-9)16-11-8-12(18)17-14(11)20/h2-6,11,16H,1,7-8H2,(H,15,19)(H,17,18,20)
InChIKeyASKZWNYHYGIOMU-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.43
Rot. Bonds5

About 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide

4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide (PubChem CID 60933489) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
PubChem CID60933489
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-7-15-13(19)9-3-5-10(6-4-9)16-11-8-12(18)17-14(11)20/h2-6,11,16H,1,7-8H2,(H,15,19)(H,17,18,20)
InChIKeyASKZWNYHYGIOMU-UHFFFAOYSA-N
XLogP0.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 62976548
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-prop-2-enylbenzamide
CID 82823800
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide (CID 60933489) is 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC2CC(=O)NC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
The InChIKey is ASKZWNYHYGIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-7-15-13(19)9-3-5-10(6-4-9)16-11-8-12(18)17-14(11)20/h2-6,11,16H,1,7-8H2,(H,15,19)(H,17,18,20).
What are the key properties of 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide?
4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide has a molecular weight of 273.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 60933489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).