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

C20H39FN2O7 — CID 138727683

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H39FN2O7/c1-16(2)20(25)23-13-18(21)14-29-12-11-28-10-9-27-8-7-26-6-5-22-19(24)15-30-17(3)4/h16-18H,5-15H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHYDOHHPZJQASHT-UHFFFAOYSA-N
MW438.54 g/mol
LogP0.70
Rot. Bonds20

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

N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727683) has the molecular formula C20H39FN2O7 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727683
Molecular FormulaC20H39FN2O7
Molecular Weight438.54 g/mol
Exact Mass438.27
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C20H39FN2O7/c1-16(2)20(25)23-13-18(21)14-29-12-11-28-10-9-27-8-7-26-6-5-22-19(24)15-30-17(3)4/h16-18H,5-15H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyHYDOHHPZJQASHT-UHFFFAOYSA-N
XLogP0.70
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 50.70
H-Bond Donors ≤ 52
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-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727683) is N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)OCC(=O)NCCOCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is HYDOHHPZJQASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2O7/c1-16(2)20(25)23-13-18(21)14-29-12-11-28-10-9-27-8-7-26-6-5-22-19(24)15-30-17(3)4/h16-18H,5-15H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 438.54 g/mol, XLogP of 0.70, 20 rotatable bonds, 2 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-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).