N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide

C11H21NO4 — CID 51340897

IUPACN-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide
SMILESCOCCOCCNC(=O)CCCCC=O
InChIInChI=1S/C11H21NO4/c1-15-9-10-16-8-6-12-11(14)5-3-2-4-7-13/h7H,2-6,8-10H2,1H3,(H,12,14)
InChIKeyVKDKPTQQJIXCDL-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.52
Rot. Bonds11

About N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide

N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide (PubChem CID 51340897) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide
PubChem CID51340897
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide
SMILESCOCCOCCNC(=O)CCCCC=O
InChIInChI=1S/C11H21NO4/c1-15-9-10-16-8-6-12-11(14)5-3-2-4-7-13/h7H,2-6,8-10H2,1H3,(H,12,14)
InChIKeyVKDKPTQQJIXCDL-UHFFFAOYSA-N
XLogP0.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide (CID 51340897) is N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide is COCCOCCNC(=O)CCCCC=O.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide?
The InChIKey is VKDKPTQQJIXCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-9-10-16-8-6-12-11(14)5-3-2-4-7-13/h7H,2-6,8-10H2,1H3,(H,12,14).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide?
N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide has a molecular weight of 231.29 g/mol, XLogP of 0.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide is sourced from PubChem (CID 51340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).