N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C17H27N3O4 — CID 2574753

IUPACN-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C17H27N3O4/c1-12(2)10-19-15(22)16(23)20(17(19)24)11-14(21)18-13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyABMXWBXASBXDJK-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.66
Rot. Bonds5

About N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 2574753) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID2574753
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NC2CCCCCCC2)C1=O
InChIInChI=1S/C17H27N3O4/c1-12(2)10-19-15(22)16(23)20(17(19)24)11-14(21)18-13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyABMXWBXASBXDJK-UHFFFAOYSA-N
XLogP1.66
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.66
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-cyclopropyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574718
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
N-(cyclohexylcarbamoyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626428
N-[(2S)-5-methylhexan-2-yl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889120
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438
1-[2-(4-cyclohexylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2663212
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 2574523
N-cyclohexyl-2-(4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)acetamide
CID 71882417

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 2574753) is N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NC2CCCCCCC2)C1=O.
What is the InChIKey of N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is ABMXWBXASBXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12(2)10-19-15(22)16(23)20(17(19)24)11-14(21)18-13-8-6-4-3-5-7-9-13/h12-13H,3-11H2,1-2H3,(H,18,21).
What are the key properties of N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2574753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).