N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen

C17H34FNO5 — CID 157113561

IUPACN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)COCCOCCOC(C)C(F)CNC(=O)C(C)C.[H][H]
InChIInChI=1S/C17H32FNO5.H2/c1-12(2)16(20)11-23-7-6-22-8-9-24-14(5)15(18)10-19-17(21)13(3)4;/h12-15H,6-11H2,1-5H3,(H,19,21);1H
InChIKeyAHCZNTWBYYPCHK-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.01
Rot. Bonds14

About N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen

N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen (PubChem CID 157113561) has the molecular formula C17H34FNO5 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen
PubChem CID157113561
Molecular FormulaC17H34FNO5
Molecular Weight351.46 g/mol
Exact Mass351.24
IUPAC NameN-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)COCCOCCOC(C)C(F)CNC(=O)C(C)C.[H][H]
InChIInChI=1S/C17H32FNO5.H2/c1-12(2)16(20)11-23-7-6-22-8-9-24-14(5)15(18)10-19-17(21)13(3)4;/h12-15H,6-11H2,1-5H3,(H,19,21);1H
InChIKeyAHCZNTWBYYPCHK-UHFFFAOYSA-N
XLogP2.01
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen (CID 157113561) is N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen is CC(C)C(=O)COCCOCCOC(C)C(F)CNC(=O)C(C)C.[H][H].
What is the InChIKey of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is AHCZNTWBYYPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FNO5.H2/c1-12(2)16(20)11-23-7-6-22-8-9-24-14(5)15(18)10-19-17(21)13(3)4;/h12-15H,6-11H2,1-5H3,(H,19,21);1H.
What are the key properties of N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen?
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 351.46 g/mol, XLogP of 2.01, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]butyl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 157113561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).