N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide

C15H24FNO — CID 170717745

IUPACN-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide
SMILESCC/C=C(C)/C(F)=C(CC)\C(=C\NC(C)=O)CC
InChIInChI=1S/C15H24FNO/c1-6-9-11(4)15(16)14(8-3)13(7-2)10-17-12(5)18/h9-10H,6-8H2,1-5H3,(H,17,18)/b11-9+,13-10+,15-14+
InChIKeyCFOZBKYFEGELJU-GEEQKCJESA-N
MW253.36 g/mol
LogP4.41
Rot. Bonds6

About N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide

N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide (PubChem CID 170717745) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide
PubChem CID170717745
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide
SMILESCC/C=C(C)/C(F)=C(CC)\C(=C\NC(C)=O)CC
InChIInChI=1S/C15H24FNO/c1-6-9-11(4)15(16)14(8-3)13(7-2)10-17-12(5)18/h9-10H,6-8H2,1-5H3,(H,17,18)/b11-9+,13-10+,15-14+
InChIKeyCFOZBKYFEGELJU-GEEQKCJESA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide?
The IUPAC name of N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide (CID 170717745) is N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide.
What is the SMILES notation for N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide?
The canonical SMILES for N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide is CC/C=C(C)/C(F)=C(CC)\C(=C\NC(C)=O)CC.
What is the InChIKey of N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide?
The InChIKey is CFOZBKYFEGELJU-GEEQKCJESA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-9-11(4)15(16)14(8-3)13(7-2)10-17-12(5)18/h9-10H,6-8H2,1-5H3,(H,17,18)/b11-9+,13-10+,15-14+.
What are the key properties of N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide?
N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide has a molecular weight of 253.36 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5E)-2,3-diethyl-4-fluoro-5-methylocta-1,3,5-trienyl]acetamide is sourced from PubChem (CID 170717745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).