N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide

C18H26FNO2 — CID 123561191

IUPACN-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide
SMILESCC(=CCC(C)CCCO)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H26FNO2/c1-14(5-4-12-21)8-9-15(2)18(22)20-11-10-16-6-3-7-17(19)13-16/h3,6-7,9,13-14,21H,4-5,8,10-12H2,1-2H3,(H,20,22)
InChIKeyGQNVZKFOVTVYLB-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.23
Rot. Bonds9

About N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide

N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide (PubChem CID 123561191) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide
PubChem CID123561191
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide
SMILESCC(=CCC(C)CCCO)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H26FNO2/c1-14(5-4-12-21)8-9-15(2)18(22)20-11-10-16-6-3-7-17(19)13-16/h3,6-7,9,13-14,21H,4-5,8,10-12H2,1-2H3,(H,20,22)
InChIKeyGQNVZKFOVTVYLB-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide (CID 123561191) is N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide is CC(=CCC(C)CCCO)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide?
The InChIKey is GQNVZKFOVTVYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-14(5-4-12-21)8-9-15(2)18(22)20-11-10-16-6-3-7-17(19)13-16/h3,6-7,9,13-14,21H,4-5,8,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide?
N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide has a molecular weight of 307.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-8-hydroxy-2,5-dimethyloct-2-enamide is sourced from PubChem (CID 123561191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).