2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide

C12H23NO5 — CID 172626027

IUPAC2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
SMILESCCCCOCC(=O)NCCOCCOCC=O
InChIInChI=1S/C12H23NO5/c1-2-3-6-18-11-12(15)13-4-7-16-9-10-17-8-5-14/h5H,2-4,6-11H2,1H3,(H,13,15)
InChIKeyPPFOXFHBHOUBEG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.15
Rot. Bonds13

About 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide

2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide (PubChem CID 172626027) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
PubChem CID172626027
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide
SMILESCCCCOCC(=O)NCCOCCOCC=O
InChIInChI=1S/C12H23NO5/c1-2-3-6-18-11-12(15)13-4-7-16-9-10-17-8-5-14/h5H,2-4,6-11H2,1H3,(H,13,15)
InChIKeyPPFOXFHBHOUBEG-UHFFFAOYSA-N
XLogP0.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 163401026
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide;ethane;methane
CID 178085327
20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methoxyacetamide
CID 155715449
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-acetamidoacetic acid;N-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethyl]propanamide
CID 142338805
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide (CID 172626027) is 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide is CCCCOCC(=O)NCCOCCOCC=O.
What is the InChIKey of 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide?
The InChIKey is PPFOXFHBHOUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-2-3-6-18-11-12(15)13-4-7-16-9-10-17-8-5-14/h5H,2-4,6-11H2,1H3,(H,13,15).
What are the key properties of 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide?
2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.15, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 172626027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).