2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide

C14H27NO2 — CID 10911690

IUPAC2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide
SMILESC=CC(C(=O)NCC(C)C)C(O)CCCCC
InChIInChI=1S/C14H27NO2/c1-5-7-8-9-13(16)12(6-2)14(17)15-10-11(3)4/h6,11-13,16H,2,5,7-10H2,1,3-4H3,(H,15,17)
InChIKeyJEVRPKSYUMTUOC-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.50
Rot. Bonds9

About 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide

2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide (PubChem CID 10911690) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide.

Molecular Properties

Compound Name2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide
PubChem CID10911690
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide
SMILESC=CC(C(=O)NCC(C)C)C(O)CCCCC
InChIInChI=1S/C14H27NO2/c1-5-7-8-9-13(16)12(6-2)14(17)15-10-11(3)4/h6,11-13,16H,2,5,7-10H2,1,3-4H3,(H,15,17)
InChIKeyJEVRPKSYUMTUOC-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide?
The IUPAC name of 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide (CID 10911690) is 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide.
What is the SMILES notation for 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide?
The canonical SMILES for 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide is C=CC(C(=O)NCC(C)C)C(O)CCCCC.
What is the InChIKey of 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide?
The InChIKey is JEVRPKSYUMTUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-7-8-9-13(16)12(6-2)14(17)15-10-11(3)4/h6,11-13,16H,2,5,7-10H2,1,3-4H3,(H,15,17).
What are the key properties of 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide?
2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide has a molecular weight of 241.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hydroxy-N-(2-methylpropyl)octanamide is sourced from PubChem (CID 10911690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).