N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C18H27N3O4 — CID 102604049

IUPACN-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccco2)C1=O
InChIInChI=1S/C18H27N3O4/c1-4-5-6-7-10-18(3)16(23)21(17(24)20-18)12-15(22)19-13(2)14-9-8-11-25-14/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCHTVLQNNSZNJMO-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds9

About N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 102604049) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID102604049
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccco2)C1=O
InChIInChI=1S/C18H27N3O4/c1-4-5-6-7-10-18(3)16(23)21(17(24)20-18)12-15(22)19-13(2)14-9-8-11-25-14/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCHTVLQNNSZNJMO-UHFFFAOYSA-N
XLogP2.74
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24605788
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 95322694
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3899651
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7639984
2-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 102604049) is N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCC1(C)NC(=O)N(CC(=O)NC(C)c2ccco2)C1=O.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is CHTVLQNNSZNJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-5-6-7-10-18(3)16(23)21(17(24)20-18)12-15(22)19-13(2)14-9-8-11-25-14/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 102604049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).