N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C13H19N3O4 — CID 7800024

IUPACN-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)C(=O)N([C@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)16-12(19)11(18)15(13(16)20)7-10(17)14-2/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyJKZBVRVSFQXLAG-BDAKNGLRSA-N
MW281.31 g/mol
LogP0.10
Rot. Bonds3

About N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7800024) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7800024
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)C(=O)N([C@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)16-12(19)11(18)15(13(16)20)7-10(17)14-2/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m1/s1
InChIKeyJKZBVRVSFQXLAG-BDAKNGLRSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.10
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-tert-butyl-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800012
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
N-(2-methoxyethyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800006
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366
N-(2,6-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800363
N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39951715
N-[2,6-di(propan-2-yl)phenyl]-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799973
methyl 4-[[2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800548
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 7800406

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7800024) is N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is CNC(=O)CN1C(=O)C(=O)N([C@H]2CCCC[C@H]2C)C1=O.
What is the InChIKey of N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is JKZBVRVSFQXLAG-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-5-3-4-6-9(8)16-12(19)11(18)15(13(16)20)7-10(17)14-2/h8-9H,3-7H2,1-2H3,(H,14,17)/t8-,9+/m1/s1.
What are the key properties of N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7800024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).