3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one

C12H24N2O3 — CID 114102619

IUPAC3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC(COC)OC)C1=O
InChIInChI=1S/C12H24N2O3/c1-5-6-11-12(15)14(9(2)13-11)7-10(17-4)8-16-3/h9-11,13H,5-8H2,1-4H3
InChIKeyYBIWDZKBPCCZLB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.59
Rot. Bonds7

About 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one

3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one (PubChem CID 114102619) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one
PubChem CID114102619
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(CC(COC)OC)C1=O
InChIInChI=1S/C12H24N2O3/c1-5-6-11-12(15)14(9(2)13-11)7-10(17-4)8-16-3/h9-11,13H,5-8H2,1-4H3
InChIKeyYBIWDZKBPCCZLB-UHFFFAOYSA-N
XLogP0.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one (CID 114102619) is 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one is CCCC1NC(C)N(CC(COC)OC)C1=O.
What is the InChIKey of 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one?
The InChIKey is YBIWDZKBPCCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-6-11-12(15)14(9(2)13-11)7-10(17-4)8-16-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one?
3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one has a molecular weight of 244.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxypropyl)-2-methyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 114102619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).