2,2-diethyloctanamide

C12H25NO — CID 87511416

IUPAC2,2-diethyloctanamide
SMILESCCCCCCC(CC)(CC)C(N)=O
InChIInChI=1S/C12H25NO/c1-4-7-8-9-10-12(5-2,6-3)11(13)14/h4-10H2,1-3H3,(H2,13,14)
InChIKeySFVLZQPOLOCSET-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.25
Rot. Bonds8

About 2,2-diethyloctanamide

2,2-diethyloctanamide (PubChem CID 87511416) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-diethyloctanamide.

Molecular Properties

Compound Name2,2-diethyloctanamide
PubChem CID87511416
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-diethyloctanamide
SMILESCCCCCCC(CC)(CC)C(N)=O
InChIInChI=1S/C12H25NO/c1-4-7-8-9-10-12(5-2,6-3)11(13)14/h4-10H2,1-3H3,(H2,13,14)
InChIKeySFVLZQPOLOCSET-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2-diethyloctanamide?
The IUPAC name of 2,2-diethyloctanamide (CID 87511416) is 2,2-diethyloctanamide.
What is the SMILES notation for 2,2-diethyloctanamide?
The canonical SMILES for 2,2-diethyloctanamide is CCCCCCC(CC)(CC)C(N)=O.
What is the InChIKey of 2,2-diethyloctanamide?
The InChIKey is SFVLZQPOLOCSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-8-9-10-12(5-2,6-3)11(13)14/h4-10H2,1-3H3,(H2,13,14).
What are the key properties of 2,2-diethyloctanamide?
2,2-diethyloctanamide has a molecular weight of 199.34 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyloctanamide is sourced from PubChem (CID 87511416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).