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

C16H31FN2O5 — CID 138727681

IUPACN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C16H31FN2O5/c1-12(2)16(21)19-9-14(17)10-23-8-7-22-6-5-18-15(20)11-24-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKUXHZSSNHZWRQC-UHFFFAOYSA-N
MW350.43 g/mol
LogP0.67
Rot. Bonds14

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

N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727681) has the molecular formula C16H31FN2O5 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727681
Molecular FormulaC16H31FN2O5
Molecular Weight350.43 g/mol
Exact Mass350.22
IUPAC NameN-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C16H31FN2O5/c1-12(2)16(21)19-9-14(17)10-23-8-7-22-6-5-18-15(20)11-24-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKUXHZSSNHZWRQC-UHFFFAOYSA-N
XLogP0.67
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 50.67
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-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727681) is N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)OCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is KUXHZSSNHZWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2O5/c1-12(2)16(21)19-9-14(17)10-23-8-7-22-6-5-18-15(20)11-24-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 350.43 g/mol, XLogP of 0.67, 14 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-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).