N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

C17H35FN2O4 — CID 142623112

IUPACN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCC(C)OCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4/c1-13(2)17(21)20-11-16(18)12-23-7-6-22-8-9-24-15(5)10-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyOYUNTELFZHWBLD-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.53
Rot. Bonds15

About N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 142623112) has the molecular formula C17H35FN2O4 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID142623112
Molecular FormulaC17H35FN2O4
Molecular Weight350.48 g/mol
Exact Mass350.26
IUPAC NameN-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)NCC(C)OCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C17H35FN2O4/c1-13(2)17(21)20-11-16(18)12-23-7-6-22-8-9-24-15(5)10-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21)
InChIKeyOYUNTELFZHWBLD-UHFFFAOYSA-N
XLogP1.53
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
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-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 142623112) is N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)NCC(C)OCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is OYUNTELFZHWBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35FN2O4/c1-13(2)17(21)20-11-16(18)12-23-7-6-22-8-9-24-15(5)10-19-14(3)4/h13-16,19H,6-12H2,1-5H3,(H,20,21).
What are the key properties of N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 350.48 g/mol, XLogP of 1.53, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[1-(propan-2-ylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 142623112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).