ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate

C13H26N2O6 — CID 118235082

IUPACethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCOCCOCCOC
InChIInChI=1S/C13H26N2O6/c1-3-21-12(16)4-5-14-13(17)15-6-7-19-10-11-20-9-8-18-2/h3-11H2,1-2H3,(H2,14,15,17)
InChIKeyRAJOURZTHAYHME-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.08
Rot. Bonds13

About ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate

ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate (PubChem CID 118235082) has the molecular formula C13H26N2O6 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate
PubChem CID118235082
Molecular FormulaC13H26N2O6
Molecular Weight306.36 g/mol
Exact Mass306.18
IUPAC Nameethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCOCCOCCOC
InChIInChI=1S/C13H26N2O6/c1-3-21-12(16)4-5-14-13(17)15-6-7-19-10-11-20-9-8-18-2/h3-11H2,1-2H3,(H2,14,15,17)
InChIKeyRAJOURZTHAYHME-UHFFFAOYSA-N
XLogP-0.08
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate?
The IUPAC name of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate (CID 118235082) is ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate is CCOC(=O)CCNC(=O)NCCOCCOCCOC.
What is the InChIKey of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate?
The InChIKey is RAJOURZTHAYHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O6/c1-3-21-12(16)4-5-14-13(17)15-6-7-19-10-11-20-9-8-18-2/h3-11H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate?
ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate has a molecular weight of 306.36 g/mol, XLogP of -0.08, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylcarbamoylamino]propanoate is sourced from PubChem (CID 118235082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).