2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide

C12H22N2O5 — CID 174360770

IUPAC2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
SMILESCC(CCC=O)NC(=O)COCCOCCNC=O
InChIInChI=1S/C12H22N2O5/c1-11(3-2-5-15)14-12(17)9-19-8-7-18-6-4-13-10-16/h5,10-11H,2-4,6-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyVJJDMYGTMNSONH-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.75
Rot. Bonds13

About 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide

2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide (PubChem CID 174360770) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
PubChem CID174360770
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
SMILESCC(CCC=O)NC(=O)COCCOCCNC=O
InChIInChI=1S/C12H22N2O5/c1-11(3-2-5-15)14-12(17)9-19-8-7-18-6-4-13-10-16/h5,10-11H,2-4,6-9H2,1H3,(H,13,16)(H,14,17)
InChIKeyVJJDMYGTMNSONH-UHFFFAOYSA-N
XLogP-0.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
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

N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-(5-amino-6-oxohexyl)-2-[2-(2-formamidoethoxy)ethoxy]acetamide
CID 145263560
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
CID 176965805
ethane;5-[2-(2-ethoxyethoxy)ethylamino]-2-(methylamino)-5-oxopentanoic acid;2-[2-(2-formamidoethoxy)ethoxy]-N-[5-(sulfanylamino)hexyl]acetamide;methanethioic S-acid;16-oxohexadecanoic acid
CID 168992279
N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
CID 142623198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide (CID 174360770) is 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide is CC(CCC=O)NC(=O)COCCOCCNC=O.
What is the InChIKey of 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide?
The InChIKey is VJJDMYGTMNSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(3-2-5-15)14-12(17)9-19-8-7-18-6-4-13-10-16/h5,10-11H,2-4,6-9H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide?
2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of -0.75, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide is sourced from PubChem (CID 174360770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).