3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione

C21H40N2O3 — CID 59111000

IUPAC3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
SMILESCCCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C21H40N2O3/c1-5-7-11-16-26-17-12-9-14-21(3,4)13-8-10-15-23-19(24)18-22(6-2)20(23)25/h5-18H2,1-4H3
InChIKeyIVIJBKFVMOFHDJ-UHFFFAOYSA-N
MW368.56 g/mol
LogP4.84
Rot. Bonds15

About 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione

3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione (PubChem CID 59111000) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
PubChem CID59111000
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
SMILESCCCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C21H40N2O3/c1-5-7-11-16-26-17-12-9-14-21(3,4)13-8-10-15-23-19(24)18-22(6-2)20(23)25/h5-18H2,1-4H3
InChIKeyIVIJBKFVMOFHDJ-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
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-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296326
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 59296310
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
3-[9-[7-(3-ethenyl-2,5-dioxoimidazolidin-1-yl)-5,5-dimethylheptoxy]-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 22085275
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
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-[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
3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
CID 20805222
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043
1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
CID 69461671

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione (CID 59111000) is 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione is CCCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O.
What is the InChIKey of 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione?
The InChIKey is IVIJBKFVMOFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-5-7-11-16-26-17-12-9-14-21(3,4)13-8-10-15-23-19(24)18-22(6-2)20(23)25/h5-18H2,1-4H3.
What are the key properties of 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione?
3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione has a molecular weight of 368.56 g/mol, XLogP of 4.84, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 59111000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).