2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide

C13H25NO6 — CID 58281475

IUPAC2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide
SMILESCOCC(=O)CCCOCCOCCNC(=O)COC
InChIInChI=1S/C13H25NO6/c1-17-10-12(15)4-3-6-19-8-9-20-7-5-14-13(16)11-18-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyPFYIGZJKNIIFGX-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.22
Rot. Bonds14

About 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide

2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide (PubChem CID 58281475) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide
PubChem CID58281475
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide
SMILESCOCC(=O)CCCOCCOCCNC(=O)COC
InChIInChI=1S/C13H25NO6/c1-17-10-12(15)4-3-6-19-8-9-20-7-5-14-13(16)11-18-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyPFYIGZJKNIIFGX-UHFFFAOYSA-N
XLogP-0.22
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.22
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide (CID 58281475) is 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide is COCC(=O)CCCOCCOCCNC(=O)COC.
What is the InChIKey of 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide?
The InChIKey is PFYIGZJKNIIFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-17-10-12(15)4-3-6-19-8-9-20-7-5-14-13(16)11-18-2/h3-11H2,1-2H3,(H,14,16).
What are the key properties of 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide?
2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide has a molecular weight of 291.34 g/mol, XLogP of -0.22, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 58281475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).