1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one

C16H32N2O2 — CID 22381198

IUPAC1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one
SMILESCCCCC(CC)C(O)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C16H32N2O2/c1-5-8-9-13(6-2)15(19)14(7-3)11-18-12(4)10-17-16(18)20/h12-15,19H,5-11H2,1-4H3,(H,17,20)
InChIKeyPVBLCRUCQSJCKX-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.00
Rot. Bonds9

About 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one

1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one (PubChem CID 22381198) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one
PubChem CID22381198
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one
SMILESCCCCC(CC)C(O)C(CC)CN1C(=O)NCC1C
InChIInChI=1S/C16H32N2O2/c1-5-8-9-13(6-2)15(19)14(7-3)11-18-12(4)10-17-16(18)20/h12-15,19H,5-11H2,1-4H3,(H,17,20)
InChIKeyPVBLCRUCQSJCKX-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one?
The IUPAC name of 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one (CID 22381198) is 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one?
The canonical SMILES for 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one is CCCCC(CC)C(O)C(CC)CN1C(=O)NCC1C.
What is the InChIKey of 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one?
The InChIKey is PVBLCRUCQSJCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-9-13(6-2)15(19)14(7-3)11-18-12(4)10-17-16(18)20/h12-15,19H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one?
1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethyl-3-hydroxyoctyl)-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).