3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione

C15H28N2O2 — CID 174435799

IUPAC3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione
SMILESCCCCC(C)(C)CCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-7-9-15(3,4)10-8-11-17-13(18)12-16(6-2)14(17)19/h5-12H2,1-4H3
InChIKeyABSPSSJTBGVBCE-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.27
Rot. Bonds8

About 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione

3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione (PubChem CID 174435799) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione
PubChem CID174435799
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione
SMILESCCCCC(C)(C)CCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C15H28N2O2/c1-5-7-9-15(3,4)10-8-11-17-13(18)12-16(6-2)14(17)19/h5-12H2,1-4H3
InChIKeyABSPSSJTBGVBCE-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione (CID 174435799) is 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione is CCCCC(C)(C)CCCN1C(=O)CN(CC)C1=O.
What is the InChIKey of 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione?
The InChIKey is ABSPSSJTBGVBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-9-15(3,4)10-8-11-17-13(18)12-16(6-2)14(17)19/h5-12H2,1-4H3.
What are the key properties of 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione?
3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione has a molecular weight of 268.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyloctyl)-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 174435799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).