N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide

C15H24FNO3 — CID 176700476

IUPACN-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C(C)C)C(=C)C
InChIInChI=1S/C15H24FNO3/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4/h10,12H,1,5-9H2,2-4H3,(H,17,18)/b14-10+
InChIKeyGUZAPAGOSFPQBG-GXDHUFHOSA-N
MW285.36 g/mol
LogP2.73
Rot. Bonds10

About N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide

N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide (PubChem CID 176700476) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide
PubChem CID176700476
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)C(C)C)C(=C)C
InChIInChI=1S/C15H24FNO3/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4/h10,12H,1,5-9H2,2-4H3,(H,17,18)/b14-10+
InChIKeyGUZAPAGOSFPQBG-GXDHUFHOSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide (CID 176700476) is N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide is C=C(F)/C=C(/OCCOCCNC(=O)C(C)C)C(=C)C.
What is the InChIKey of N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The InChIKey is GUZAPAGOSFPQBG-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4/h10,12H,1,5-9H2,2-4H3,(H,17,18)/b14-10+.
What are the key properties of N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide has a molecular weight of 285.36 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 176700476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).