4,4-diacetyl-5-dodecylimidazolidin-2-one

C19H34N2O3 — CID 154266735

IUPAC4,4-diacetyl-5-dodecylimidazolidin-2-one
SMILESCCCCCCCCCCCCC1NC(=O)NC1(C(C)=O)C(C)=O
InChIInChI=1S/C19H34N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-19(15(2)22,16(3)23)21-18(24)20-17/h17H,4-14H2,1-3H3,(H2,20,21,24)
InChIKeyREMHFRHJXBIGPE-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.90
Rot. Bonds13

About 4,4-diacetyl-5-dodecylimidazolidin-2-one

4,4-diacetyl-5-dodecylimidazolidin-2-one (PubChem CID 154266735) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 4,4-diacetyl-5-dodecylimidazolidin-2-one.

Molecular Properties

Compound Name4,4-diacetyl-5-dodecylimidazolidin-2-one
PubChem CID154266735
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name4,4-diacetyl-5-dodecylimidazolidin-2-one
SMILESCCCCCCCCCCCCC1NC(=O)NC1(C(C)=O)C(C)=O
InChIInChI=1S/C19H34N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-19(15(2)22,16(3)23)21-18(24)20-17/h17H,4-14H2,1-3H3,(H2,20,21,24)
InChIKeyREMHFRHJXBIGPE-UHFFFAOYSA-N
XLogP3.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-hexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 67652768
4-hydroxy-5-octylcyclopentane-1,2,3-trione
CID 90985729
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98131682
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
3-tetradecanoyl-4-tridecyloxetan-2-one
CID 146344704
4,7-didodecyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 141093259
4-methylidene-5-pentylimidazolidin-2-one
CID 174379713
(3aS,4S,6aR)-3a-methyl-4-pentyl-3,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one
CID 163943587
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of 4,4-diacetyl-5-dodecylimidazolidin-2-one?
The IUPAC name of 4,4-diacetyl-5-dodecylimidazolidin-2-one (CID 154266735) is 4,4-diacetyl-5-dodecylimidazolidin-2-one.
What is the SMILES notation for 4,4-diacetyl-5-dodecylimidazolidin-2-one?
The canonical SMILES for 4,4-diacetyl-5-dodecylimidazolidin-2-one is CCCCCCCCCCCCC1NC(=O)NC1(C(C)=O)C(C)=O.
What is the InChIKey of 4,4-diacetyl-5-dodecylimidazolidin-2-one?
The InChIKey is REMHFRHJXBIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-19(15(2)22,16(3)23)21-18(24)20-17/h17H,4-14H2,1-3H3,(H2,20,21,24).
What are the key properties of 4,4-diacetyl-5-dodecylimidazolidin-2-one?
4,4-diacetyl-5-dodecylimidazolidin-2-one has a molecular weight of 338.49 g/mol, XLogP of 3.90, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diacetyl-5-dodecylimidazolidin-2-one is sourced from PubChem (CID 154266735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).