2-ethoxyoctanamide

C10H21NO2 — CID 174492663

IUPAC2-ethoxyoctanamide
SMILESCCCCCCC(OCC)C(N)=O
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-8-9(10(11)12)13-4-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJGAUNXOPGRRSNE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds8

About 2-ethoxyoctanamide

2-ethoxyoctanamide (PubChem CID 174492663) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethoxyoctanamide.

Molecular Properties

Compound Name2-ethoxyoctanamide
PubChem CID174492663
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethoxyoctanamide
SMILESCCCCCCC(OCC)C(N)=O
InChIInChI=1S/C10H21NO2/c1-3-5-6-7-8-9(10(11)12)13-4-2/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJGAUNXOPGRRSNE-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
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 2-ethoxyoctanamide?
The IUPAC name of 2-ethoxyoctanamide (CID 174492663) is 2-ethoxyoctanamide.
What is the SMILES notation for 2-ethoxyoctanamide?
The canonical SMILES for 2-ethoxyoctanamide is CCCCCCC(OCC)C(N)=O.
What is the InChIKey of 2-ethoxyoctanamide?
The InChIKey is JGAUNXOPGRRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-7-8-9(10(11)12)13-4-2/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 2-ethoxyoctanamide?
2-ethoxyoctanamide has a molecular weight of 187.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyoctanamide is sourced from PubChem (CID 174492663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).