(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one

C11H22N2O2 — CID 99779652

IUPAC(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one
SMILESCCC[C@@H]1NC(C)(C)N(CCOC)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-6-9-10(14)13(7-8-15-4)11(2,3)12-9/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGUUUJHXPDFIVBD-VIFPVBQESA-N
MW214.31 g/mol
LogP0.97
Rot. Bonds5

About (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one

(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one (PubChem CID 99779652) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one
PubChem CID99779652
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one
SMILESCCC[C@@H]1NC(C)(C)N(CCOC)C1=O
InChIInChI=1S/C11H22N2O2/c1-5-6-9-10(14)13(7-8-15-4)11(2,3)12-9/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyGUUUJHXPDFIVBD-VIFPVBQESA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one?
The IUPAC name of (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one (CID 99779652) is (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one.
What is the SMILES notation for (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one?
The canonical SMILES for (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one is CCC[C@@H]1NC(C)(C)N(CCOC)C1=O.
What is the InChIKey of (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one?
The InChIKey is GUUUJHXPDFIVBD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-9-10(14)13(7-8-15-4)11(2,3)12-9/h9,12H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one?
(5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one has a molecular weight of 214.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methoxyethyl)-2,2-dimethyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 99779652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).