N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide

C11H23FN2O2 — CID 142615982

IUPACN-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCCNCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C11H23FN2O2/c1-5-13-6-7-16-11(3,4)10(12)8-14-9(2)15/h10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyRNQFRPYJEASXQB-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.87
Rot. Bonds8

About N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide

N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide (PubChem CID 142615982) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide
PubChem CID142615982
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide
SMILESCCNCCOC(C)(C)C(F)CNC(C)=O
InChIInChI=1S/C11H23FN2O2/c1-5-13-6-7-16-11(3,4)10(12)8-14-9(2)15/h10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyRNQFRPYJEASXQB-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide (CID 142615982) is N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide is CCNCCOC(C)(C)C(F)CNC(C)=O.
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide?
The InChIKey is RNQFRPYJEASXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-5-13-6-7-16-11(3,4)10(12)8-14-9(2)15/h10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide?
N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide has a molecular weight of 234.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)ethoxy]-2-fluoro-3-methylbutyl]acetamide is sourced from PubChem (CID 142615982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).