3-hexadecan-2-ylimidazolidine-2,4-dione

C19H36N2O2 — CID 70547028

IUPAC3-hexadecan-2-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCC(C)N1C(=O)CNC1=O
InChIInChI=1S/C19H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)21-18(22)16-20-19(21)23/h17H,3-16H2,1-2H3,(H,20,23)
InChIKeyOGQYMWZRFIZYII-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.02
Rot. Bonds14

About 3-hexadecan-2-ylimidazolidine-2,4-dione

3-hexadecan-2-ylimidazolidine-2,4-dione (PubChem CID 70547028) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-hexadecan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-hexadecan-2-ylimidazolidine-2,4-dione
PubChem CID70547028
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name3-hexadecan-2-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCC(C)N1C(=O)CNC1=O
InChIInChI=1S/C19H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)21-18(22)16-20-19(21)23/h17H,3-16H2,1-2H3,(H,20,23)
InChIKeyOGQYMWZRFIZYII-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 64955606
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CID 22388775
1,5-di(heptan-2-yl)-6-methylidene-3-nonan-2-yl-1,3,5-triazinane-2,4-dione
CID 163447732
3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 103936497
3-octan-2-yl-2-propan-2-ylimidazolidin-4-one
CID 83246891
(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
4-chloro-1-octan-2-ylpyrrolidin-2-one
CID 168686949
3-methyl-1-octan-2-ylpyrrole-2,5-dione
CID 60976981
6-heptan-2-yl-13-(5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 71168540
9-heptan-2-yl-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947707
3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857

Frequently Asked Questions

What is the IUPAC name of 3-hexadecan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-hexadecan-2-ylimidazolidine-2,4-dione (CID 70547028) is 3-hexadecan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-hexadecan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-hexadecan-2-ylimidazolidine-2,4-dione is CCCCCCCCCCCCCCC(C)N1C(=O)CNC1=O.
What is the InChIKey of 3-hexadecan-2-ylimidazolidine-2,4-dione?
The InChIKey is OGQYMWZRFIZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)21-18(22)16-20-19(21)23/h17H,3-16H2,1-2H3,(H,20,23).
What are the key properties of 3-hexadecan-2-ylimidazolidine-2,4-dione?
3-hexadecan-2-ylimidazolidine-2,4-dione has a molecular weight of 324.51 g/mol, XLogP of 5.02, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadecan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 70547028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).