2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide

C16H23N3O5 — CID 18194541

IUPAC2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O
InChIInChI=1S/C16H23N3O5/c1-24-10-8-17-13(20)11-19-15(22)14(21)18(16(19)23)9-7-12-5-3-2-4-6-12/h5H,2-4,6-11H2,1H3,(H,17,20)
InChIKeyFDXVFVSRWHFYHH-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.43
Rot. Bonds8

About 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 18194541) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID18194541
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O
InChIInChI=1S/C16H23N3O5/c1-24-10-8-17-13(20)11-19-15(22)14(21)18(16(19)23)9-7-12-5-3-2-4-6-12/h5H,2-4,6-11H2,1H3,(H,17,20)
InChIKeyFDXVFVSRWHFYHH-UHFFFAOYSA-N
XLogP0.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95166273
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574488
2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]acetamide
CID 40918373
N-[2-(cyclopenten-1-yl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103842228
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835848
methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
CID 1262163
N-(2-methoxyethyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800006
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 60581705
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941011
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 18194541) is 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O.
What is the InChIKey of 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is FDXVFVSRWHFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-24-10-8-17-13(20)11-19-15(22)14(21)18(16(19)23)9-7-12-5-3-2-4-6-12/h5H,2-4,6-11H2,1H3,(H,17,20).
What are the key properties of 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 18194541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).