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

C18H35FN2O6 — CID 138727679

IUPACN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O6/c1-14(2)18(23)21-11-16(19)12-26-10-9-25-8-7-24-6-5-20-17(22)13-27-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIAUSHWCQYMLXMS-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.69
Rot. Bonds17

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

N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 138727679) has the molecular formula C18H35FN2O6 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID138727679
Molecular FormulaC18H35FN2O6
Molecular Weight394.48 g/mol
Exact Mass394.25
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCC(C)OCC(=O)NCCOCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C18H35FN2O6/c1-14(2)18(23)21-11-16(19)12-26-10-9-25-8-7-24-6-5-20-17(22)13-27-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyIAUSHWCQYMLXMS-UHFFFAOYSA-N
XLogP0.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 138727679) is N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is CC(C)OCC(=O)NCCOCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is IAUSHWCQYMLXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O6/c1-14(2)18(23)21-11-16(19)12-26-10-9-25-8-7-24-6-5-20-17(22)13-27-15(3)4/h14-16H,5-13H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 394.48 g/mol, XLogP of 0.69, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 138727679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).