2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C15H17N3O4 — CID 7757167

IUPAC2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C15H17N3O4/c1-8-5-9(2)12(10(3)6-8)16-11(19)7-18-14(21)13(20)17(4)15(18)22/h5-6H,7H2,1-4H3,(H,16,19)
InChIKeyNAYGMSBWWNTJQF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.97
Rot. Bonds3

About 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7757167) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7757167
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C15H17N3O4/c1-8-5-9(2)12(10(3)6-8)16-11(19)7-18-14(21)13(20)17(4)15(18)22/h5-6H,7H2,1-4H3,(H,16,19)
InChIKeyNAYGMSBWWNTJQF-UHFFFAOYSA-N
XLogP0.97
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.97
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-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 7757167) is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NAYGMSBWWNTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-5-9(2)12(10(3)6-8)16-11(19)7-18-14(21)13(20)17(4)15(18)22/h5-6H,7H2,1-4H3,(H,16,19).
What are the key properties of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7757167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).