2-ethylheptanamide

C9H19NO — CID 20126

IUPAC2-ethylheptanamide
SMILESCCCCCC(CC)C(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAOFZLQPFVNKHSR-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.08
Rot. Bonds6

About 2-ethylheptanamide

2-ethylheptanamide (PubChem CID 20126) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethylheptanamide.

Molecular Properties

Compound Name2-ethylheptanamide
PubChem CID20126
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethylheptanamide
SMILESCCCCCC(CC)C(N)=O
InChIInChI=1S/C9H19NO/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyAOFZLQPFVNKHSR-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.08
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-ethylheptanamide?
The IUPAC name of 2-ethylheptanamide (CID 20126) is 2-ethylheptanamide.
What is the SMILES notation for 2-ethylheptanamide?
The canonical SMILES for 2-ethylheptanamide is CCCCCC(CC)C(N)=O.
What is the InChIKey of 2-ethylheptanamide?
The InChIKey is AOFZLQPFVNKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-ethylheptanamide?
2-ethylheptanamide has a molecular weight of 157.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylheptanamide is sourced from PubChem (CID 20126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).