3-(2-butoxyethyl)-5-methylimidazolidin-4-one

C10H20N2O2 — CID 83253163

IUPAC3-(2-butoxyethyl)-5-methylimidazolidin-4-one
SMILESCCCCOCCN1CNC(C)C1=O
InChIInChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-8-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyGBYODFWLMWBLEI-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.58
Rot. Bonds6

About 3-(2-butoxyethyl)-5-methylimidazolidin-4-one

3-(2-butoxyethyl)-5-methylimidazolidin-4-one (PubChem CID 83253163) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-butoxyethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-butoxyethyl)-5-methylimidazolidin-4-one
PubChem CID83253163
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(2-butoxyethyl)-5-methylimidazolidin-4-one
SMILESCCCCOCCN1CNC(C)C1=O
InChIInChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-8-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3
InChIKeyGBYODFWLMWBLEI-UHFFFAOYSA-N
XLogP0.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethyl)-3-methylpiperazin-2-one
CID 63601407
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580
3-(2-cyclohexyloxyethyl)-5-methylimidazolidin-4-one
CID 83263542
(5S)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 124510324
3-(2-butoxyethyl)-2-methylimidazolidin-4-one
CID 83254187
1-(2-butoxyethyl)-1,4-diazepane-2,5-dione
CID 64882011
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
3-(3-ethoxypropyl)-5-propylimidazolidin-4-one
CID 83237865
1-(2-butoxyethyl)pyrrolidine-2,4-dione
CID 79517282
1-(2-butoxyethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883186
5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
CID 79355454

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(2-butoxyethyl)-5-methylimidazolidin-4-one (CID 83253163) is 3-(2-butoxyethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(2-butoxyethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(2-butoxyethyl)-5-methylimidazolidin-4-one is CCCCOCCN1CNC(C)C1=O.
What is the InChIKey of 3-(2-butoxyethyl)-5-methylimidazolidin-4-one?
The InChIKey is GBYODFWLMWBLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-8-11-9(2)10(12)13/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(2-butoxyethyl)-5-methylimidazolidin-4-one?
3-(2-butoxyethyl)-5-methylimidazolidin-4-one has a molecular weight of 200.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83253163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).