2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one

C16H32N2O — CID 107819252

IUPAC2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
SMILESCCC1NC(CC)N(CCCCCCC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-5-14-16(19)18(15(6-2)17-14)12-10-8-7-9-11-13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyYMIVJXUONWBGMR-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.54
Rot. Bonds9

About 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one

2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one (PubChem CID 107819252) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one.

Molecular Properties

Compound Name2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
PubChem CID107819252
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one
SMILESCCC1NC(CC)N(CCCCCCC(C)C)C1=O
InChIInChI=1S/C16H32N2O/c1-5-14-16(19)18(15(6-2)17-14)12-10-8-7-9-11-13(3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyYMIVJXUONWBGMR-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.54
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

5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
2-ethyl-5-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260834
3-(4-methylpentyl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83254863
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
3-(7-methyloctyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 107819269
3-[3-(dimethylamino)propyl]-2-ethyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83250703
2-ethyl-5-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83248374
5-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83253960
5-ethyl-2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)imidazolidin-4-one
CID 83244799
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
5-ethyl-2-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260919
2-ethyl-5-(2-methylpropyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260824

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one?
The IUPAC name of 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one (CID 107819252) is 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one.
What is the SMILES notation for 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one?
The canonical SMILES for 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one is CCC1NC(CC)N(CCCCCCC(C)C)C1=O.
What is the InChIKey of 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one?
The InChIKey is YMIVJXUONWBGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-14-16(19)18(15(6-2)17-14)12-10-8-7-9-11-13(3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one?
2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one has a molecular weight of 268.44 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(7-methyloctyl)imidazolidin-4-one is sourced from PubChem (CID 107819252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).