3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one

C18H36N2O — CID 107819269

IUPAC3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCCCCCC(C)C
InChIInChI=1S/C18H36N2O/c1-6-11-16-19-17(15(4)5)18(21)20(16)13-10-8-7-9-12-14(2)3/h14-17,19H,6-13H2,1-5H3
InChIKeyFCSGVEWHZFHODU-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.18
Rot. Bonds10

About 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one

3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one (PubChem CID 107819269) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
PubChem CID107819269
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)C)C(=O)N1CCCCCCC(C)C
InChIInChI=1S/C18H36N2O/c1-6-11-16-19-17(15(4)5)18(21)20(16)13-10-8-7-9-12-14(2)3/h14-17,19H,6-13H2,1-5H3
InChIKeyFCSGVEWHZFHODU-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
3-(2,2-difluoroethyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83271211
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
CID 107819252
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
6-methyl-1-(7-methyloctyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107818513
3-octan-4-yl-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106021469

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one (CID 107819269) is 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one is CCCC1NC(C(C)C)C(=O)N1CCCCCCC(C)C.
What is the InChIKey of 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
The InChIKey is FCSGVEWHZFHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-11-16-19-17(15(4)5)18(21)20(16)13-10-8-7-9-12-14(2)3/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one?
3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one has a molecular weight of 296.50 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one is sourced from PubChem (CID 107819269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).