N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide

C11H23FN2O3 — CID 171646908

IUPACN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC
InChIInChI=1S/C11H23FN2O3/c1-3-11(15)14-8-10(12)9-17-7-6-16-5-4-13-2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyQGZPZVSDAYFDAG-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.10
Rot. Bonds11

About N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide (PubChem CID 171646908) has the molecular formula C11H23FN2O3 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide
PubChem CID171646908
Molecular FormulaC11H23FN2O3
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCNC
InChIInChI=1S/C11H23FN2O3/c1-3-11(15)14-8-10(12)9-17-7-6-16-5-4-13-2/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyQGZPZVSDAYFDAG-UHFFFAOYSA-N
XLogP0.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.10
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-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide (CID 171646908) is N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCNC.
What is the InChIKey of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide?
The InChIKey is QGZPZVSDAYFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O3/c1-3-11(15)14-8-10(12)9-17-7-6-16-5-4-13-2/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide has a molecular weight of 250.31 g/mol, XLogP of 0.10, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 171646908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).