[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

C19H36N2O7 — CID 118645477

IUPAC[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCOCCN1C=CN(CC)C1OC(=O)CCOCCOCCOCCOC
InChIInChI=1S/C19H36N2O7/c1-4-20-7-8-21(9-11-24-5-2)19(20)28-18(22)6-10-25-14-15-27-17-16-26-13-12-23-3/h7-8,19H,4-6,9-17H2,1-3H3
InChIKeyLBWOAKUOXZGPKR-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.04
Rot. Bonds18

About [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate

[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (PubChem CID 118645477) has the molecular formula C19H36N2O7 and a molecular weight of 404.50 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
PubChem CID118645477
Molecular FormulaC19H36N2O7
Molecular Weight404.50 g/mol
Exact Mass404.25
IUPAC Name[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
SMILESCCOCCN1C=CN(CC)C1OC(=O)CCOCCOCCOCCOC
InChIInChI=1S/C19H36N2O7/c1-4-20-7-8-21(9-11-24-5-2)19(20)28-18(22)6-10-25-14-15-27-17-16-26-13-12-23-3/h7-8,19H,4-6,9-17H2,1-3H3
InChIKeyLBWOAKUOXZGPKR-UHFFFAOYSA-N
XLogP1.04
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The IUPAC name of [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate (CID 118645477) is [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate.
What is the SMILES notation for [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The canonical SMILES for [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is CCOCCN1C=CN(CC)C1OC(=O)CCOCCOCCOCCOC.
What is the InChIKey of [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
The InChIKey is LBWOAKUOXZGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O7/c1-4-20-7-8-21(9-11-24-5-2)19(20)28-18(22)6-10-25-14-15-27-17-16-26-13-12-23-3/h7-8,19H,4-6,9-17H2,1-3H3.
What are the key properties of [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate?
[1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate has a molecular weight of 404.50 g/mol, XLogP of 1.04, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-3-ethyl-2H-imidazol-2-yl] 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 118645477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).