2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide

C15H17N3O4 — CID 2219826

IUPAC2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O4/c16-15(22)10-4-1-2-5-11(10)17-12(19)6-3-9-18-13(20)7-8-14(18)21/h1-2,4-5H,3,6-9H2,(H2,16,22)(H,17,19)
InChIKeyPVILEHDJGVJUIV-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.65
Rot. Bonds6

About 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide

2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide (PubChem CID 2219826) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
PubChem CID2219826
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C15H17N3O4/c16-15(22)10-4-1-2-5-11(10)17-12(19)6-3-9-18-13(20)7-8-14(18)21/h1-2,4-5H,3,6-9H2,(H2,16,22)(H,17,19)
InChIKeyPVILEHDJGVJUIV-UHFFFAOYSA-N
XLogP0.65
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzoate
CID 17034971
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-iodophenyl)butanamide
CID 17034974
2-[4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]butanoylamino]benzamide
CID 8817453
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040
2-(3-aminopropanoylamino)benzamide
CID 22692052
N-(2-bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 36662901
2-(7-chloroheptanoylamino)benzamide
CID 139930503
N-(2-aminoethyl)-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]benzamide;hydrochloride
CID 120603741
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
N-(2,5-dichlorophenyl)-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034956
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide?
The IUPAC name of 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide (CID 2219826) is 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide.
What is the SMILES notation for 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide?
The canonical SMILES for 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide is NC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide?
The InChIKey is PVILEHDJGVJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c16-15(22)10-4-1-2-5-11(10)17-12(19)6-3-9-18-13(20)7-8-14(18)21/h1-2,4-5H,3,6-9H2,(H2,16,22)(H,17,19).
What are the key properties of 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide?
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide has a molecular weight of 303.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide is sourced from PubChem (CID 2219826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).