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

C13H25NO6 — CID 146640391

IUPAC3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)CCOCCOCCOCCOCCC(N)=O
InChIInChI=1S/C13H25NO6/c1-12(15)2-4-17-6-8-19-10-11-20-9-7-18-5-3-13(14)16/h2-11H2,1H3,(H2,14,16)
InChIKeyRYNJPYRIXOKBFS-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.09
Rot. Bonds15

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

3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 146640391) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
PubChem CID146640391
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
SMILESCC(=O)CCOCCOCCOCCOCCC(N)=O
InChIInChI=1S/C13H25NO6/c1-12(15)2-4-17-6-8-19-10-11-20-9-7-18-5-3-13(14)16/h2-11H2,1H3,(H2,14,16)
InChIKeyRYNJPYRIXOKBFS-UHFFFAOYSA-N
XLogP-0.09
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.09
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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Related Compounds

3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
CID 167044215
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
3-(3-acetamidopropoxy)propanamide;4-(3-aminopropoxy)butan-2-one
CID 158546704
2-[2-(4-oxopentoxy)ethoxy]acetamide
CID 122436040

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide (CID 146640391) is 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide is CC(=O)CCOCCOCCOCCOCCC(N)=O.
What is the InChIKey of 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is RYNJPYRIXOKBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-12(15)2-4-17-6-8-19-10-11-20-9-7-18-5-3-13(14)16/h2-11H2,1H3,(H2,14,16).
What are the key properties of 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide?
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 291.34 g/mol, XLogP of -0.09, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 146640391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).