N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide

C14H16N2O3 — CID 146088463

IUPACN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
InChIKeyYVZULSNTKFDGEM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide (PubChem CID 146088463) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
PubChem CID146088463
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19)
InChIKeyYVZULSNTKFDGEM-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
CID 110719076
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(2-oxochromen-3-yl)benzamide
CID 171914835
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methylbenzamide
CID 121119576
3-cyano-N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]benzamide
CID 119106214
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzamide
CID 110396408
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide (CID 146088463) is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN2C(=O)CCC2=O)c1.
What is the InChIKey of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide?
The InChIKey is YVZULSNTKFDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-3-2-4-11(9-10)14(19)15-7-8-16-12(17)5-6-13(16)18/h2-4,9H,5-8H2,1H3,(H,15,19).
What are the key properties of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide?
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide has a molecular weight of 260.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 146088463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).