N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide

C17H33FN2O4 — CID 138727678

IUPACN-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C17H33FN2O4/c1-13(2)17(22)20-10-15(18)11-23-9-7-5-6-8-19-16(21)12-24-14(3)4/h13-15H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyCESVKVIXWKUZSC-UHFFFAOYSA-N
MW348.46 g/mol
LogP1.82
Rot. Bonds14

About N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (PubChem CID 138727678) has the molecular formula C17H33FN2O4 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
PubChem CID138727678
Molecular FormulaC17H33FN2O4
Molecular Weight348.46 g/mol
Exact Mass348.24
IUPAC NameN-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C17H33FN2O4/c1-13(2)17(22)20-10-15(18)11-23-9-7-5-6-8-19-16(21)12-24-14(3)4/h13-15H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyCESVKVIXWKUZSC-UHFFFAOYSA-N
XLogP1.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide (CID 138727678) is N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is CC(C)OCC(=O)NCCCCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
The InChIKey is CESVKVIXWKUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2O4/c1-13(2)17(22)20-10-15(18)11-23-9-7-5-6-8-19-16(21)12-24-14(3)4/h13-15H,5-12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide has a molecular weight of 348.46 g/mol, XLogP of 1.82, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[5-[(2-propan-2-yloxyacetyl)amino]pentoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).