3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione

C21H40N2O3 — CID 20805222

IUPAC3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(C(C)(C)CCCCOCCCCC(C)(C)CC)C1=O
InChIInChI=1S/C21H40N2O3/c1-7-20(3,4)13-9-11-15-26-16-12-10-14-21(5,6)23-18(24)17-22(8-2)19(23)25/h7-17H2,1-6H3
InChIKeyYYAJYQUWVHOUJE-UHFFFAOYSA-N
MW368.56 g/mol
LogP4.84
Rot. Bonds13

About 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione

3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione (PubChem CID 20805222) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
PubChem CID20805222
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
SMILESCCN1CC(=O)N(C(C)(C)CCCCOCCCCC(C)(C)CC)C1=O
InChIInChI=1S/C21H40N2O3/c1-7-20(3,4)13-9-11-15-26-16-12-10-14-21(5,6)23-18(24)17-22(8-2)19(23)25/h7-17H2,1-6H3
InChIKeyYYAJYQUWVHOUJE-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 54.84
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-[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
3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
CID 59111000
3-[9-(5,5-diethyldecoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296276
3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296333
9-(5,5-dimethyl-9-methylsulfonylnonoxy)-5,5-dimethylnonane-1-sulfonamide;1-ethyl-3-[6-(7-hydroxy-5,5-dimethylheptoxy)-2,2-dimethylhexyl]imidazolidine-2,4-dione;1-ethyl-3-[6-(7-hydroxy-5,5-dimethylheptoxy)-2-methylhexan-2-yl]imidazolidine-2,4-dione;1-ethyl-3-[6-(6-hydroxy-5,5-dimethylhexoxy)-2-methylhexan-2-yl]imidazolidine-2,4-dione;1-ethyl-3-[6-(9-hydroxy-5,5-dimethylnonoxy)-2,2-dimethylhexyl]imidazolidine-2,4-dione;1-ethyl-3-[6-(9-hydroxy-5,5-dimethylnonoxy)-2-methylhexan-2-yl]imidazolidine-2,4-dione;1-ethyl-3-[7-(8-hydroxy-5,5-dimethyloctoxy)-3,3-dimethylheptyl]imidazolidine-2,4-dione;1-ethyl-3-[6-(8-hydroxy-5,5-dimethyloctoxy)-2-methylhexan-2-yl]imidazolidine-2,4-dione;3-[6-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylhexyl]-1-methylimidazolidine-2,4-dione;3-[6-(8-hydroxy-5,5-dimethyloctoxy)-2,2-dimethylhexyl]-1-methylimidazolidine-2,4-dione
CID 157112836
3-[9-[7-(3-ethenyl-2,5-dioxoimidazolidin-1-yl)-5,5-dimethylheptoxy]-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 22085275
1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
CID 69461671
6-[5,5-diethyl-7-(3-ethyl-2,5-dioxoimidazolidin-1-yl)heptoxy]-2-ethyl-2-methylhexanoic acid
CID 59296325
3-[7-(5,5-diethyl-10-hydroxydecoxy)-3,3-diethylheptyl]-1-ethylimidazolidine-2,4-dione;3-[6-(5,5-diethyl-10-hydroxydecoxy)-2,2-diethylhexyl]-1-ethylimidazolidine-2,4-dione;3-[9-(5,5-diethyl-10-hydroxydecoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione;3-[8-(5,5-diethyl-10-hydroxydecoxy)-4,4-diethyloctyl]-1-ethylimidazolidine-2,4-dione;3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylheptan-3-yl]-1-ethylimidazolidine-2,4-dione;3-[7-(5,5-diethyl-9-hydroxynonoxy)-3,3-diethylheptyl]-1-ethylimidazolidine-2,4-dione;3-[6-(5,5-diethyl-9-hydroxynonoxy)-2,2-diethylhexyl]-1-ethylimidazolidine-2,4-dione;3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 160824313
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione (CID 20805222) is 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione is CCN1CC(=O)N(C(C)(C)CCCCOCCCCC(C)(C)CC)C1=O.
What is the InChIKey of 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione?
The InChIKey is YYAJYQUWVHOUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-7-20(3,4)13-9-11-15-26-16-12-10-14-21(5,6)23-18(24)17-22(8-2)19(23)25/h7-17H2,1-6H3.
What are the key properties of 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione?
3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione has a molecular weight of 368.56 g/mol, XLogP of 4.84, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 20805222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).