N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C14H21N3O4 — CID 2518119

IUPACN-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NCC2CCCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-2-16-12(19)13(20)17(14(16)21)9-11(18)15-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,15,18)
InChIKeyAXSUDGGIUJSOFU-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.49
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 2518119) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID2518119
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NCC2CCCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-2-16-12(19)13(20)17(14(16)21)9-11(18)15-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,15,18)
InChIKeyAXSUDGGIUJSOFU-UHFFFAOYSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.49
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-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
N-(cyclooctylmethyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98284387
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379865
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 34718348
N-cyclooctyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574753
N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 78804990
2-[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(cyclohexylmethyl)acetamide
CID 16676113
N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 2518119) is N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CCN1C(=O)C(=O)N(CC(=O)NCC2CCCCC2)C1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is AXSUDGGIUJSOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-16-12(19)13(20)17(14(16)21)9-11(18)15-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,15,18).
What are the key properties of N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2518119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).