3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione

C24H46N2O3 — CID 59296310

IUPAC3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCCC(C)(C)CCCCOCCCCC(C)(C)CC)C1=O
InChIInChI=1S/C24H46N2O3/c1-7-23(3,4)14-9-11-18-29-19-12-10-15-24(5,6)16-13-17-26-21(27)20-25(8-2)22(26)28/h7-20H2,1-6H3
InChIKeyFQABTGRYCZEGRA-UHFFFAOYSA-N
MW410.64 g/mol
LogP5.87
Rot. Bonds16

About 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione

3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione (PubChem CID 59296310) has the molecular formula C24H46N2O3 and a molecular weight of 410.64 g/mol. Its IUPAC name is 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
PubChem CID59296310
Molecular FormulaC24H46N2O3
Molecular Weight410.64 g/mol
Exact Mass410.35
IUPAC Name3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(CCCC(C)(C)CCCCOCCCCC(C)(C)CC)C1=O
InChIInChI=1S/C24H46N2O3/c1-7-23(3,4)14-9-11-18-29-19-12-10-15-24(5,6)16-13-17-26-21(27)20-25(8-2)22(26)28/h7-20H2,1-6H3
InChIKeyFQABTGRYCZEGRA-UHFFFAOYSA-N
XLogP5.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296326
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
3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
CID 20805222
3-[9-[5-ethenyl-5-ethyl-8-(3-ethyl-2,5-dioxoimidazolidin-1-yl)octoxy]-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59079005
3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
CID 143079825
6-[5,5-diethyl-7-(3-ethyl-2,5-dioxoimidazolidin-1-yl)heptoxy]-2-ethyl-2-methylhexanoic acid
CID 59296325
1-ethyl-3-[5-[2-[5-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-3,3-dimethylpentoxy]ethoxy]-3,3-dimethylpentyl]imidazolidine-2,4-dione
CID 22737193
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043
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 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione (CID 59296310) is 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione is CCN1CC(=O)N(CCCC(C)(C)CCCCOCCCCC(C)(C)CC)C1=O.
What is the InChIKey of 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione?
The InChIKey is FQABTGRYCZEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O3/c1-7-23(3,4)14-9-11-18-29-19-12-10-15-24(5,6)16-13-17-26-21(27)20-25(8-2)22(26)28/h7-20H2,1-6H3.
What are the key properties of 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione?
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione has a molecular weight of 410.64 g/mol, XLogP of 5.87, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 59296310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).