1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid

C14H28N2O5 — CID 174749773

IUPAC1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
SMILESCCOCCN1C=CN(C)C1.COCCOCCC(=O)O
InChIInChI=1S/C8H16N2O.C6H12O4/c1-3-11-7-6-10-5-4-9(2)8-10;1-9-4-5-10-3-2-6(7)8/h4-5H,3,6-8H2,1-2H3;2-5H2,1H3,(H,7,8)
InChIKeyKTHJBZYWUVTJOU-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds10

About 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid

1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid (PubChem CID 174749773) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
PubChem CID174749773
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid
SMILESCCOCCN1C=CN(C)C1.COCCOCCC(=O)O
InChIInChI=1S/C8H16N2O.C6H12O4/c1-3-11-7-6-10-5-4-9(2)8-10;1-9-4-5-10-3-2-6(7)8/h4-5H,3,6-8H2,1-2H3;2-5H2,1H3,(H,7,8)
InChIKeyKTHJBZYWUVTJOU-UHFFFAOYSA-N
XLogP0.82
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethyl)-3-ethyl-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174750047
1-ethyl-3-(2-methoxyethyl)-2H-imidazole;3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 174749863
1-(2-ethoxyethyl)-2H-pyridine;3-(2-methoxyethoxy)propanoic acid
CID 174749758
2-methoxyacetic acid;1-(2-methoxyethyl)-3-methyl-2H-imidazole
CID 174750022
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
2-(2-ethoxyethoxy)ethyl 2-(3-methyl-2H-imidazol-1-yl)acetate
CID 90948473
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-(3-methyl-2H-imidazol-1-yl)ethanol;propanoic acid
CID 175446864
3-(2-methoxyethoxy)propanoic acid;1-propylpiperidine
CID 175288868

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid?
The IUPAC name of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid (CID 174749773) is 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid is CCOCCN1C=CN(C)C1.COCCOCCC(=O)O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid?
The InChIKey is KTHJBZYWUVTJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C6H12O4/c1-3-11-7-6-10-5-4-9(2)8-10;1-9-4-5-10-3-2-6(7)8/h4-5H,3,6-8H2,1-2H3;2-5H2,1H3,(H,7,8).
What are the key properties of 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid?
1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methyl-2H-imidazole;3-(2-methoxyethoxy)propanoic acid is sourced from PubChem (CID 174749773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).