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

C17H33FN2O7 — CID 165383537

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)COCCOCCOCCOCCNC(=O)CO
InChIInChI=1S/C17H33FN2O7/c1-14(2)17(23)20-11-15(18)13-27-10-9-26-8-7-25-6-5-24-4-3-19-16(22)12-21/h14-15,21H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXIHVJZASMJWOOB-UHFFFAOYSA-N
MW396.46 g/mol
LogP-0.73
Rot. Bonds18

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

N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 165383537) has the molecular formula C17H33FN2O7 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID165383537
Molecular FormulaC17H33FN2O7
Molecular Weight396.46 g/mol
Exact Mass396.23
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(F)COCCOCCOCCOCCNC(=O)CO
InChIInChI=1S/C17H33FN2O7/c1-14(2)17(23)20-11-15(18)13-27-10-9-26-8-7-25-6-5-24-4-3-19-16(22)12-21/h14-15,21H,3-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyXIHVJZASMJWOOB-UHFFFAOYSA-N
XLogP-0.73
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 165383537) is N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)C(=O)NCC(F)COCCOCCOCCOCCNC(=O)CO.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is XIHVJZASMJWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2O7/c1-14(2)17(23)20-11-15(18)13-27-10-9-26-8-7-25-6-5-24-4-3-19-16(22)12-21/h14-15,21H,3-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 396.46 g/mol, XLogP of -0.73, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 165383537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).