N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide

C11H21NO4 — CID 58846818

IUPACN-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide
SMILESCOCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C11H21NO4/c1-10(13)4-5-11(14)12-6-9-16-8-3-7-15-2/h3-9H2,1-2H3,(H,12,14)
InChIKeyDXHWCJXTEUCENT-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.52
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide

N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide (PubChem CID 58846818) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide
PubChem CID58846818
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide
SMILESCOCCCOCCNC(=O)CCC(C)=O
InChIInChI=1S/C11H21NO4/c1-10(13)4-5-11(14)12-6-9-16-8-3-7-15-2/h3-9H2,1-2H3,(H,12,14)
InChIKeyDXHWCJXTEUCENT-UHFFFAOYSA-N
XLogP0.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide (CID 58846818) is N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide is COCCCOCCNC(=O)CCC(C)=O.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide?
The InChIKey is DXHWCJXTEUCENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(13)4-5-11(14)12-6-9-16-8-3-7-15-2/h3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide?
N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide has a molecular weight of 231.29 g/mol, XLogP of 0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-4-oxopentanamide is sourced from PubChem (CID 58846818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).