(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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Related Compounds

(5S)-5-(2-methylpropyl)-3-[2-(morpholin-4-yl)ethyl]imidazolidine-2,4-dione
CID 665508
N-(2-methoxyethyl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]acetamide
CID 72044073
3-(2-Methoxyethyl)-5-methylimidazolidine-2,4-dione
CID 13711661
N-[(2S)-1-[bis(2-methoxyethyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 53618360
3-(2-Methoxyethyl)-1-methyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 75439050
(5S)-5-ethyl-3-(4-methoxybutyl)imidazolidine-2,4-dione
CID 97074949
(2S)-N-cyclopropyl-1-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 164639476
(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
CID 70966982
methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61164930
Ethyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)-2-fluoroacetate
CID 81296943
5-Ethyl-2-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83262927
2-Ethyl-5-propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83262928

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).