3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide

C13H26N2O6 — CID 129012127

IUPAC3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)NCCOCCOCCOCCOCCC(N)=O
InChIInChI=1S/C13H26N2O6/c1-12(16)15-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(14)17/h2-11H2,1H3,(H2,14,17)(H,15,16)
InChIKeyGFALIXVEFMCPKK-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.94
Rot. Bonds15

About 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide

3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 129012127) has the molecular formula C13H26N2O6 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide
PubChem CID129012127
Molecular FormulaC13H26N2O6
Molecular Weight306.36 g/mol
Exact Mass306.18
IUPAC Name3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)NCCOCCOCCOCCOCCC(N)=O
InChIInChI=1S/C13H26N2O6/c1-12(16)15-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(14)17/h2-11H2,1H3,(H2,14,17)(H,15,16)
InChIKeyGFALIXVEFMCPKK-UHFFFAOYSA-N
XLogP-0.94
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.94
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 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide (CID 129012127) is 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide is CC(=O)NCCOCCOCCOCCOCCC(N)=O.
What is the InChIKey of 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is GFALIXVEFMCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O6/c1-12(16)15-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(14)17/h2-11H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide?
3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 306.36 g/mol, XLogP of -0.94, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 129012127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).