2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide

C16H19N3O4 — CID 7819698

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H19N3O4/c1-3-11(2)17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyYBPGPKCTPABLJW-LLVKDONJSA-N
MW317.34 g/mol
LogP0.89
Rot. Bonds6

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide (PubChem CID 7819698) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
PubChem CID7819698
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H19N3O4/c1-3-11(2)17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyYBPGPKCTPABLJW-LLVKDONJSA-N
XLogP0.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.89
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

N-[(2R)-butan-2-yl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374600
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-propylacetamide
CID 7819743
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-butan-2-ylacetamide
CID 3628343
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 7820097
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-(3-methylbutyl)acetamide
CID 7819706
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
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7824265
1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
CID 7820037

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide (CID 7819698) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is YBPGPKCTPABLJW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-11(2)17-13(20)10-19-15(22)14(21)18(16(19)23)9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 317.34 g/mol, XLogP of 0.89, 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-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 7819698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).