6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid

C15H20FNO4 — CID 43352869

IUPAC6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c16-12-5-7-13(8-6-12)21-11-9-14(18)17-10-3-1-2-4-15(19)20/h5-8H,1-4,9-11H2,(H,17,18)(H,19,20)
InChIKeyLYSFURCURANZTN-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.36
Rot. Bonds10

About 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid

6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid (PubChem CID 43352869) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
PubChem CID43352869
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO4/c16-12-5-7-13(8-6-12)21-11-9-14(18)17-10-3-1-2-4-15(19)20/h5-8H,1-4,9-11H2,(H,17,18)(H,19,20)
InChIKeyLYSFURCURANZTN-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.36
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-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 32644530
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid (CID 43352869) is 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid is O=C(O)CCCCCNC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid?
The InChIKey is LYSFURCURANZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c16-12-5-7-13(8-6-12)21-11-9-14(18)17-10-3-1-2-4-15(19)20/h5-8H,1-4,9-11H2,(H,17,18)(H,19,20).
What are the key properties of 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid?
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid is sourced from PubChem (CID 43352869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).