4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide

C13H25NO4 — CID 135249369

IUPAC4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
SMILESCCCOCCOCCNC(=O)CCC(=O)CC
InChIInChI=1S/C13H25NO4/c1-3-8-17-10-11-18-9-7-14-13(16)6-5-12(15)4-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyXPFGFGUHUYOSMP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.31
Rot. Bonds12

About 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide

4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide (PubChem CID 135249369) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide.

Molecular Properties

Compound Name4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
PubChem CID135249369
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
SMILESCCCOCCOCCNC(=O)CCC(=O)CC
InChIInChI=1S/C13H25NO4/c1-3-8-17-10-11-18-9-7-14-13(16)6-5-12(15)4-2/h3-11H2,1-2H3,(H,14,16)
InChIKeyXPFGFGUHUYOSMP-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-(aminomethoxy)ethyl]-4-oxohexanamide
CID 163442733
decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The IUPAC name of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide (CID 135249369) is 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide.
What is the SMILES notation for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The canonical SMILES for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide is CCCOCCOCCNC(=O)CCC(=O)CC.
What is the InChIKey of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
The InChIKey is XPFGFGUHUYOSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-8-17-10-11-18-9-7-14-13(16)6-5-12(15)4-2/h3-11H2,1-2H3,(H,14,16).
What are the key properties of 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide?
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide has a molecular weight of 259.35 g/mol, XLogP of 1.31, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide is sourced from PubChem (CID 135249369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).