N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide

C11H23FN2O2 — CID 170061761

IUPACN-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide
SMILESCCNCCOC(C)C(F)CNC(=O)CC
InChIInChI=1S/C11H23FN2O2/c1-4-11(15)14-8-10(12)9(3)16-7-6-13-5-2/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyFZOKEWWJTHVLIG-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.87
Rot. Bonds9

About N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide

N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide (PubChem CID 170061761) has the molecular formula C11H23FN2O2 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide
PubChem CID170061761
Molecular FormulaC11H23FN2O2
Molecular Weight234.31 g/mol
Exact Mass234.17
IUPAC NameN-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide
SMILESCCNCCOC(C)C(F)CNC(=O)CC
InChIInChI=1S/C11H23FN2O2/c1-4-11(15)14-8-10(12)9(3)16-7-6-13-5-2/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyFZOKEWWJTHVLIG-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

3-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700556
N-[2-(2-fluorocyclopropyl)oxyethyl]-2-methylpropanamide
CID 57886910
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
CID 138467265
N-[2-fluoro-3-[2-(propan-2-ylamino)ethoxy]butyl]acetamide
CID 138727067
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727262
N-[2-fluoro-3-methyl-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butyl]propanamide
CID 138727265
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 138727791
N-[2-fluoro-3-methyl-3-[2-(propan-2-ylamino)ethoxy]butyl]propanamide
CID 138727902
N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
CID 138728501
N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 142615728

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide?
The IUPAC name of N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide (CID 170061761) is N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide.
What is the SMILES notation for N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide?
The canonical SMILES for N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide is CCNCCOC(C)C(F)CNC(=O)CC.
What is the InChIKey of N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide?
The InChIKey is FZOKEWWJTHVLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O2/c1-4-11(15)14-8-10(12)9(3)16-7-6-13-5-2/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide?
N-[3-[2-(ethylamino)ethoxy]-2-fluorobutyl]propanamide has a molecular weight of 234.31 g/mol, XLogP of 0.87, 9 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-fluorobutyl]propanamide is sourced from PubChem (CID 170061761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).