2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide

C21H21N3O5 — CID 4222608

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-2-3-13-23-19(26)20(27)24(21(23)28)14-18(25)22-15-9-11-17(12-10-15)29-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,22,25)
InChIKeyOYXMCSOMDBWOEV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.01
Rot. Bonds8

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 4222608) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID4222608
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C21H21N3O5/c1-2-3-13-23-19(26)20(27)24(21(23)28)14-18(25)22-15-9-11-17(12-10-15)29-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,22,25)
InChIKeyOYXMCSOMDBWOEV-UHFFFAOYSA-N
XLogP3.01
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2498787
N-(4-phenyldiazenylphenyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626264
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
2-(2,5-dioxo-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17465722
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 2708354
N-(2-benzoylphenyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7359700
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459
N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 5090642
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17445056
2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 46698957

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide (CID 4222608) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is OYXMCSOMDBWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-2-3-13-23-19(26)20(27)24(21(23)28)14-18(25)22-15-9-11-17(12-10-15)29-16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,22,25).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 395.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 4222608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).