3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione

C29H56N2O4 — CID 59296357

IUPAC3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
SMILESCCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C29H56N2O4/c1-6-28(7-2,17-10-13-22-32)18-11-14-23-35-24-15-12-19-29(8-3,9-4)20-16-21-31-26(33)25-30(5)27(31)34/h32H,6-25H2,1-5H3
InChIKeyNPYSUVFQGORYIW-UHFFFAOYSA-N
MW496.78 g/mol
LogP6.79
Rot. Bonds22

About 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione

3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione (PubChem CID 59296357) has the molecular formula C29H56N2O4 and a molecular weight of 496.78 g/mol. Its IUPAC name is 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
PubChem CID59296357
Molecular FormulaC29H56N2O4
Molecular Weight496.78 g/mol
Exact Mass496.42
IUPAC Name3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
SMILESCCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C29H56N2O4/c1-6-28(7-2,17-10-13-22-32)18-11-14-23-35-24-15-12-19-29(8-3,9-4)20-16-21-31-26(33)25-30(5)27(31)34/h32H,6-25H2,1-5H3
InChIKeyNPYSUVFQGORYIW-UHFFFAOYSA-N
XLogP6.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione (CID 59296357) is 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione is CCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is NPYSUVFQGORYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N2O4/c1-6-28(7-2,17-10-13-22-32)18-11-14-23-35-24-15-12-19-29(8-3,9-4)20-16-21-31-26(33)25-30(5)27(31)34/h32H,6-25H2,1-5H3.
What are the key properties of 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione?
3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 496.78 g/mol, XLogP of 6.79, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59296357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).