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

C17H26FNO3 — CID 176700324

IUPAC2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C
InChIInChI=1S/C17H26FNO3/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15/h11,15H,1,3-10,12H2,2H3,(H,19,20)/b16-11+
InChIKeyWKVYWTYJDBSTDM-LFIBNONCSA-N
MW311.40 g/mol
LogP3.27
Rot. Bonds11

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

2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide (PubChem CID 176700324) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide
PubChem CID176700324
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Name2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide
SMILESC=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C
InChIInChI=1S/C17H26FNO3/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15/h11,15H,1,3-10,12H2,2H3,(H,19,20)/b16-11+
InChIKeyWKVYWTYJDBSTDM-LFIBNONCSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.27
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 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide (CID 176700324) is 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide is C=C(F)/C=C(/OCCOCCNC(=O)CC1CCC1)C(=C)C.
What is the InChIKey of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide?
The InChIKey is WKVYWTYJDBSTDM-LFIBNONCSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-13(2)16(11-14(3)18)22-10-9-21-8-7-19-17(20)12-15-5-4-6-15/h11,15H,1,3-10,12H2,2H3,(H,19,20)/b16-11+.
What are the key properties of 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide?
2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide has a molecular weight of 311.40 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]acetamide is sourced from PubChem (CID 176700324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).