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

C17H30FNO3 — CID 176700475

IUPACethane;N-[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.CC
InChIInChI=1S/C15H24FNO3.C2H6/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4;1-2/h10,12H,1,5-9H2,2-4H3,(H,17,18);1-2H3/b14-10+;
InChIKeyOKKQNUPLARSRBR-KMZJGFRYSA-N
MW315.43 g/mol
LogP3.76
Rot. Bonds10

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

ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide (PubChem CID 176700475) has the molecular formula C17H30FNO3 and a molecular weight of 315.43 g/mol. Its IUPAC name is ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide
PubChem CID176700475
Molecular FormulaC17H30FNO3
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Nameethane;N-[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.CC
InChIInChI=1S/C15H24FNO3.C2H6/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4;1-2/h10,12H,1,5-9H2,2-4H3,(H,17,18);1-2H3/b14-10+;
InChIKeyOKKQNUPLARSRBR-KMZJGFRYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.76
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'}

Analyze ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The IUPAC name of ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide (CID 176700475) is ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
The InChIKey is OKKQNUPLARSRBR-KMZJGFRYSA-N. The full InChI is InChI=1S/C15H24FNO3.C2H6/c1-11(2)14(10-13(5)16)20-9-8-19-7-6-17-15(18)12(3)4;1-2/h10,12H,1,5-9H2,2-4H3,(H,17,18);1-2H3/b14-10+;.
What are the key properties of ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide?
ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide has a molecular weight of 315.43 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 176700475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).