2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide

C13H27NO5 — CID 171838427

IUPAC2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCCCCCOCCOCCOCCOCC(N)=O
InChIInChI=1S/C13H27NO5/c1-2-3-4-5-16-6-7-17-8-9-18-10-11-19-12-13(14)15/h2-12H2,1H3,(H2,14,15)
InChIKeyDAJVXYDTWIWQKJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP0.73
Rot. Bonds15

About 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide

2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide (PubChem CID 171838427) has the molecular formula C13H27NO5 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
PubChem CID171838427
Molecular FormulaC13H27NO5
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
SMILESCCCCCOCCOCCOCCOCC(N)=O
InChIInChI=1S/C13H27NO5/c1-2-3-4-5-16-6-7-17-8-9-18-10-11-19-12-13(14)15/h2-12H2,1H3,(H2,14,15)
InChIKeyDAJVXYDTWIWQKJ-UHFFFAOYSA-N
XLogP0.73
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
2-tridecoxyacetamide
CID 54483018
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
3-dodecoxypropanamide
CID 22235134
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[4-(4-aminobutoxy)butoxy]acetamide
CID 155031633
2-[2-(4-oxopentoxy)ethoxy]acetamide
CID 122436040

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide (CID 171838427) is 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide is CCCCCOCCOCCOCCOCC(N)=O.
What is the InChIKey of 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide?
The InChIKey is DAJVXYDTWIWQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5/c1-2-3-4-5-16-6-7-17-8-9-18-10-11-19-12-13(14)15/h2-12H2,1H3,(H2,14,15).
What are the key properties of 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide?
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide has a molecular weight of 277.36 g/mol, XLogP of 0.73, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 171838427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).