2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C13H13N3O4 — CID 2767614

IUPAC2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(CN2C(=O)C(=O)N(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-8-2-4-9(5-3-8)6-15-11(18)12(19)16(13(15)20)7-10(14)17/h2-5H,6-7H2,1H3,(H2,14,17)
InChIKeyLMYIUMYVEPZSIH-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.23
Rot. Bonds4

About 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2767614) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2767614
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(CN2C(=O)C(=O)N(CC(N)=O)C2=O)cc1
InChIInChI=1S/C13H13N3O4/c1-8-2-4-9(5-3-8)6-15-11(18)12(19)16(13(15)20)7-10(14)17/h2-5H,6-7H2,1H3,(H2,14,17)
InChIKeyLMYIUMYVEPZSIH-UHFFFAOYSA-N
XLogP-0.23
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2767614) is 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is Cc1ccc(CN2C(=O)C(=O)N(CC(N)=O)C2=O)cc1.
What is the InChIKey of 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is LMYIUMYVEPZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8-2-4-9(5-3-8)6-15-11(18)12(19)16(13(15)20)7-10(14)17/h2-5H,6-7H2,1H3,(H2,14,17).
What are the key properties of 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 275.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylphenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2767614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).