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

C22H23N3O4 — CID 7819948

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-15(2)17-9-11-18(12-10-17)23-19(26)14-25-21(28)20(27)24(22(25)29)13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyLPDJHTRSCIZLGV-HNNXBMFYSA-N
MW393.44 g/mol
LogP3.13
Rot. Bonds7

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

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 7819948) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID7819948
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-15(2)17-9-11-18(12-10-17)23-19(26)14-25-21(28)20(27)24(22(25)29)13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyLPDJHTRSCIZLGV-HNNXBMFYSA-N
XLogP3.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.13
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-[(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
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7819637
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-naphthalen-2-ylacetamide
CID 7819935
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916993
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7916991
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-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 7819706

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (CID 7819948) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccc(NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is LPDJHTRSCIZLGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-15(2)17-9-11-18(12-10-17)23-19(26)14-25-21(28)20(27)24(22(25)29)13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.13, 7 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-[4-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7819948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).