N-ethyl-N-hexyl-2-methylpropanamide

C12H25NO — CID 91693732

IUPACN-ethyl-N-hexyl-2-methylpropanamide
SMILESCCCCCCN(CC)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-5-7-8-9-10-13(6-2)12(14)11(3)4/h11H,5-10H2,1-4H3
InChIKeyHERFYXCXIPFJLM-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.07
Rot. Bonds7

About N-ethyl-N-hexyl-2-methylpropanamide

N-ethyl-N-hexyl-2-methylpropanamide (PubChem CID 91693732) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-N-hexyl-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-hexyl-2-methylpropanamide
PubChem CID91693732
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-N-hexyl-2-methylpropanamide
SMILESCCCCCCN(CC)C(=O)C(C)C
InChIInChI=1S/C12H25NO/c1-5-7-8-9-10-13(6-2)12(14)11(3)4/h11H,5-10H2,1-4H3
InChIKeyHERFYXCXIPFJLM-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
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 N-ethyl-N-hexyl-2-methylpropanamide?
The IUPAC name of N-ethyl-N-hexyl-2-methylpropanamide (CID 91693732) is N-ethyl-N-hexyl-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-hexyl-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-hexyl-2-methylpropanamide is CCCCCCN(CC)C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-hexyl-2-methylpropanamide?
The InChIKey is HERFYXCXIPFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-9-10-13(6-2)12(14)11(3)4/h11H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-hexyl-2-methylpropanamide?
N-ethyl-N-hexyl-2-methylpropanamide has a molecular weight of 199.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexyl-2-methylpropanamide is sourced from PubChem (CID 91693732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).