1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione

C26H50N4O5 — CID 69461671

IUPAC1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CCCCOCCCCC(C)(C)CN2C(O)CN(CC)C2O)C1=O
InChIInChI=1S/C26H50N4O5/c1-7-27-17-21(31)29(23(27)33)19-25(3,4)13-9-11-15-35-16-12-10-14-26(5,6)20-30-22(32)18-28(8-2)24(30)34/h21,23,31,33H,7-20H2,1-6H3
InChIKeyJYRKKJHNCGVYME-UHFFFAOYSA-N
MW498.71 g/mol
LogP2.91
Rot. Bonds16

About 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione

1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione (PubChem CID 69461671) has the molecular formula C26H50N4O5 and a molecular weight of 498.71 g/mol. Its IUPAC name is 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
PubChem CID69461671
Molecular FormulaC26H50N4O5
Molecular Weight498.71 g/mol
Exact Mass498.38
IUPAC Name1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CC(C)(C)CCCCOCCCCC(C)(C)CN2C(O)CN(CC)C2O)C1=O
InChIInChI=1S/C26H50N4O5/c1-7-27-17-21(31)29(23(27)33)19-25(3,4)13-9-11-15-35-16-12-10-14-26(5,6)20-30-22(32)18-28(8-2)24(30)34/h21,23,31,33H,7-20H2,1-6H3
InChIKeyJYRKKJHNCGVYME-UHFFFAOYSA-N
XLogP2.91
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
CID 59111000
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 59296310
3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296326
1-ethyl-3-[15-(3-ethyl-2,5-dioxoimidazolidin-1-yl)-2,2,14,14-tetramethyl-6,10-dioxopentadecyl]imidazolidine-2,4-dione
CID 23083858
3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
CID 143079825
1-ethyl-3-[4-[3-[4-(3-ethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-3,3-dimethylbutoxy]propoxy]-2,2-dimethylbutyl]-2-sulfanylideneimidazolidin-4-one
CID 11785852
3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
CID 20805222
3-[9-[7-(3-ethenyl-2,5-dioxoimidazolidin-1-yl)-5,5-dimethylheptoxy]-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 22085275
3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296333
3-[9-(5,5-diethyldecoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296276
6-[5,5-diethyl-7-(3-ethyl-2,5-dioxoimidazolidin-1-yl)heptoxy]-2-ethyl-2-methylhexanoic acid
CID 59296325
3-[3,3-diethyl-7-[5-ethyl-5-[(3-ethyl-2,5-dioxoimidazolidin-1-yl)methyl]hept-6-enoxy]heptyl]-1-ethylimidazolidine-2,4-dione
CID 59079027

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione?
The IUPAC name of 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione (CID 69461671) is 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione is CCN1CC(=O)N(CC(C)(C)CCCCOCCCCC(C)(C)CN2C(O)CN(CC)C2O)C1=O.
What is the InChIKey of 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione?
The InChIKey is JYRKKJHNCGVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O5/c1-7-27-17-21(31)29(23(27)33)19-25(3,4)13-9-11-15-35-16-12-10-14-26(5,6)20-30-22(32)18-28(8-2)24(30)34/h21,23,31,33H,7-20H2,1-6H3.
What are the key properties of 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione?
1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione has a molecular weight of 498.71 g/mol, XLogP of 2.91, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione is sourced from PubChem (CID 69461671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).