1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one

C16H24N2O3 — CID 119049026

IUPAC1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one
SMILESCCN1CN(CC(O)COc2c(C)cccc2C)CC1=O
InChIInChI=1S/C16H24N2O3/c1-4-18-11-17(9-15(18)20)8-14(19)10-21-16-12(2)6-5-7-13(16)3/h5-7,14,19H,4,8-11H2,1-3H3
InChIKeyNCFYOQTZNJVJRO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.16
Rot. Bonds6

About 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one

1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one (PubChem CID 119049026) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one
PubChem CID119049026
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one
SMILESCCN1CN(CC(O)COc2c(C)cccc2C)CC1=O
InChIInChI=1S/C16H24N2O3/c1-4-18-11-17(9-15(18)20)8-14(19)10-21-16-12(2)6-5-7-13(16)3/h5-7,14,19H,4,8-11H2,1-3H3
InChIKeyNCFYOQTZNJVJRO-UHFFFAOYSA-N
XLogP1.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-1-methylimidazolidine-2,4-dione
CID 39972533
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 7428342
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882096
2-[2-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 4580819
1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
CID 138959567
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one?
The IUPAC name of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one (CID 119049026) is 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one.
What is the SMILES notation for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one?
The canonical SMILES for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one is CCN1CN(CC(O)COc2c(C)cccc2C)CC1=O.
What is the InChIKey of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one?
The InChIKey is NCFYOQTZNJVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18-11-17(9-15(18)20)8-14(19)10-21-16-12(2)6-5-7-13(16)3/h5-7,14,19H,4,8-11H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one?
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-ethylimidazolidin-4-one is sourced from PubChem (CID 119049026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).