N-hexyl-2-methoxyacetamide

C9H19NO2 — CID 60671004

IUPACN-hexyl-2-methoxyacetamide
SMILESCCCCCCNC(=O)COC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10-9(11)8-12-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyWLTRUHKTIJTCAO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds7

About N-hexyl-2-methoxyacetamide

N-hexyl-2-methoxyacetamide (PubChem CID 60671004) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-hexyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-hexyl-2-methoxyacetamide
PubChem CID60671004
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-hexyl-2-methoxyacetamide
SMILESCCCCCCNC(=O)COC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10-9(11)8-12-2/h3-8H2,1-2H3,(H,10,11)
InChIKeyWLTRUHKTIJTCAO-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexyl-2-methoxyacetamide?
The IUPAC name of N-hexyl-2-methoxyacetamide (CID 60671004) is N-hexyl-2-methoxyacetamide.
What is the SMILES notation for N-hexyl-2-methoxyacetamide?
The canonical SMILES for N-hexyl-2-methoxyacetamide is CCCCCCNC(=O)COC.
What is the InChIKey of N-hexyl-2-methoxyacetamide?
The InChIKey is WLTRUHKTIJTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-10-9(11)8-12-2/h3-8H2,1-2H3,(H,10,11).
What are the key properties of N-hexyl-2-methoxyacetamide?
N-hexyl-2-methoxyacetamide has a molecular weight of 173.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methoxyacetamide is sourced from PubChem (CID 60671004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).