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

C13H15N3O3 — CID 110719076

IUPACN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H15N3O3/c1-9-3-2-4-10(7-9)12(18)14-5-6-16-11(17)8-15-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,19)
InChIKeyFYGWHWDIWPZBFR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.28
Rot. Bonds4

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

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide (PubChem CID 110719076) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
PubChem CID110719076
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2C(=O)CNC2=O)c1
InChIInChI=1S/C13H15N3O3/c1-9-3-2-4-10(7-9)12(18)14-5-6-16-11(17)8-15-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,19)
InChIKeyFYGWHWDIWPZBFR-UHFFFAOYSA-N
XLogP0.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide
CID 146088463
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-phenylbenzamide
CID 110719117
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 110719186
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110719111
N-(2,4-dimethylphenyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 35438664
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]prop-2-enamide
CID 72692291

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide (CID 110719076) is N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN2C(=O)CNC2=O)c1.
What is the InChIKey of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide?
The InChIKey is FYGWHWDIWPZBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-3-2-4-10(7-9)12(18)14-5-6-16-11(17)8-15-13(16)19/h2-4,7H,5-6,8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide?
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide has a molecular weight of 261.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 110719076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).