2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide

C15H17N3O4 — CID 7819743

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H17N3O4/c1-2-8-16-12(19)10-18-14(21)13(20)17(15(18)22)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,19)
InChIKeyAUPLWSLISMPKHE-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.50
Rot. Bonds6

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide (PubChem CID 7819743) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
PubChem CID7819743
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C15H17N3O4/c1-2-8-16-12(19)10-18-14(21)13(20)17(15(18)22)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,19)
InChIKeyAUPLWSLISMPKHE-UHFFFAOYSA-N
XLogP0.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.50
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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Related Compounds

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9073066
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 7819698
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 7819549
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 7819908
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7820036
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7819948
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9073243
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 7819532
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-naphthalen-2-ylacetamide
CID 7819935
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide (CID 7819743) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide?
The InChIKey is AUPLWSLISMPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-8-16-12(19)10-18-14(21)13(20)17(15(18)22)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,19).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide has a molecular weight of 303.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 7819743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).