N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

C20H39FN2O8 — CID 138727682

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H39FN2O8/c1-17(2)20(25)23-14-18(21)15-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-22-19(24)16-26-3/h17-18H,4-16H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJJHFLSNQWPZKPH-UHFFFAOYSA-N
MW454.54 g/mol
LogP-0.06
Rot. Bonds22

About N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727682) has the molecular formula C20H39FN2O8 and a molecular weight of 454.54 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727682
Molecular FormulaC20H39FN2O8
Molecular Weight454.54 g/mol
Exact Mass454.27
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H39FN2O8/c1-17(2)20(25)23-14-18(21)15-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-22-19(24)16-26-3/h17-18H,4-16H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJJHFLSNQWPZKPH-UHFFFAOYSA-N
XLogP-0.06
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727682) is N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is COCC(=O)NCCOCCOCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is JJHFLSNQWPZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2O8/c1-17(2)20(25)23-14-18(21)15-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-22-19(24)16-26-3/h17-18H,4-16H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 454.54 g/mol, XLogP of -0.06, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).