3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione

C31H60N2O3 — CID 59296333

IUPAC3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
SMILESCCCCC(CC)(CC)CCCCOCCCCC(CC)(CC)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C31H60N2O3/c1-7-13-20-30(8-2,9-3)22-15-18-25-36-26-19-16-23-31(10-4,11-5)21-14-17-24-33-28(34)27-32(12-6)29(33)35/h7-27H2,1-6H3
InChIKeyNGZGPLJPYKMPEL-UHFFFAOYSA-N
MW508.83 g/mol
LogP8.60
Rot. Bonds23

About 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione

3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione (PubChem CID 59296333) has the molecular formula C31H60N2O3 and a molecular weight of 508.83 g/mol. Its IUPAC name is 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
PubChem CID59296333
Molecular FormulaC31H60N2O3
Molecular Weight508.83 g/mol
Exact Mass508.46
IUPAC Name3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
SMILESCCCCC(CC)(CC)CCCCOCCCCC(CC)(CC)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C31H60N2O3/c1-7-13-20-30(8-2,9-3)22-15-18-25-36-26-19-16-23-31(10-4,11-5)21-14-17-24-33-28(34)27-32(12-6)29(33)35/h7-27H2,1-6H3
InChIKeyNGZGPLJPYKMPEL-UHFFFAOYSA-N
XLogP8.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.83
LogP ≤ 58.60
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-diethyldecoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296276
3-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
CID 59111000
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-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296326
6-[5,5-diethyl-7-(3-ethyl-2,5-dioxoimidazolidin-1-yl)heptoxy]-2-ethyl-2-methylhexanoic acid
CID 59296325
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 59296310
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
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-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
CID 59296357
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

Frequently Asked Questions

What is the IUPAC name of 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione (CID 59296333) is 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione is CCCCC(CC)(CC)CCCCOCCCCC(CC)(CC)CCCCN1C(=O)CN(CC)C1=O.
What is the InChIKey of 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione?
The InChIKey is NGZGPLJPYKMPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N2O3/c1-7-13-20-30(8-2,9-3)22-15-18-25-36-26-19-16-23-31(10-4,11-5)21-14-17-24-33-28(34)27-32(12-6)29(33)35/h7-27H2,1-6H3.
What are the key properties of 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione?
3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione has a molecular weight of 508.83 g/mol, XLogP of 8.60, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 59296333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).