N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C16H24N4O5 — CID 42900503

IUPACN-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C16H24N4O5/c1-9(2)20-14(23)13(22)19(16(20)25)8-12(21)18-15(24)17-11-7-5-4-6-10(11)3/h9-11H,4-8H2,1-3H3,(H2,17,18,21,24)
InChIKeyXROVOQOTEOEYHN-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.59
Rot. Bonds4

About N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 42900503) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID42900503
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C16H24N4O5/c1-9(2)20-14(23)13(22)19(16(20)25)8-12(21)18-15(24)17-11-7-5-4-6-10(11)3/h9-11H,4-8H2,1-3H3,(H2,17,18,21,24)
InChIKeyXROVOQOTEOEYHN-UHFFFAOYSA-N
XLogP0.59
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
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

N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 11930479
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 11920002
N-cyclopentyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975978
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756880
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46810709
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
N-(cyclohexylcarbamoyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626428
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97221018
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375311
N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 11919445

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 42900503) is N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC1CCCCC1NC(=O)NC(=O)CN1C(=O)C(=O)N(C(C)C)C1=O.
What is the InChIKey of N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is XROVOQOTEOEYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-9(2)20-14(23)13(22)19(16(20)25)8-12(21)18-15(24)17-11-7-5-4-6-10(11)3/h9-11H,4-8H2,1-3H3,(H2,17,18,21,24).
What are the key properties of N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)carbamoyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42900503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).