4-ethyl-2-methylideneoctanamide

C11H21NO — CID 18618797

IUPAC4-ethyl-2-methylideneoctanamide
SMILESC=C(CC(CC)CCCC)C(N)=O
InChIInChI=1S/C11H21NO/c1-4-6-7-10(5-2)8-9(3)11(12)13/h10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPONBXPNEKAYGLH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.63
Rot. Bonds7

About 4-ethyl-2-methylideneoctanamide

4-ethyl-2-methylideneoctanamide (PubChem CID 18618797) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-ethyl-2-methylideneoctanamide.

Molecular Properties

Compound Name4-ethyl-2-methylideneoctanamide
PubChem CID18618797
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-ethyl-2-methylideneoctanamide
SMILESC=C(CC(CC)CCCC)C(N)=O
InChIInChI=1S/C11H21NO/c1-4-6-7-10(5-2)8-9(3)11(12)13/h10H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPONBXPNEKAYGLH-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylideneoctanamide?
The IUPAC name of 4-ethyl-2-methylideneoctanamide (CID 18618797) is 4-ethyl-2-methylideneoctanamide.
What is the SMILES notation for 4-ethyl-2-methylideneoctanamide?
The canonical SMILES for 4-ethyl-2-methylideneoctanamide is C=C(CC(CC)CCCC)C(N)=O.
What is the InChIKey of 4-ethyl-2-methylideneoctanamide?
The InChIKey is PONBXPNEKAYGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-6-7-10(5-2)8-9(3)11(12)13/h10H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 4-ethyl-2-methylideneoctanamide?
4-ethyl-2-methylideneoctanamide has a molecular weight of 183.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylideneoctanamide is sourced from PubChem (CID 18618797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).