5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid

C15H23NO4 — CID 63317129

IUPAC5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCCOC2CCCCC2)o1
InChIInChI=1S/C15H23NO4/c17-15(18)14-8-7-13(20-14)11-16-9-4-10-19-12-5-2-1-3-6-12/h7-8,12,16H,1-6,9-11H2,(H,17,18)
InChIKeySFFZARQIWBGQCC-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.81
Rot. Bonds8

About 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid

5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid (PubChem CID 63317129) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
PubChem CID63317129
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNCCCOC2CCCCC2)o1
InChIInChI=1S/C15H23NO4/c17-15(18)14-8-7-13(20-14)11-16-9-4-10-19-12-5-2-1-3-6-12/h7-8,12,16H,1-6,9-11H2,(H,17,18)
InChIKeySFFZARQIWBGQCC-UHFFFAOYSA-N
XLogP2.81
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.81
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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Related Compounds

5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
CID 104585865
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103251678
5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 63317125
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid (CID 63317129) is 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNCCCOC2CCCCC2)o1.
What is the InChIKey of 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid?
The InChIKey is SFFZARQIWBGQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-15(18)14-8-7-13(20-14)11-16-9-4-10-19-12-5-2-1-3-6-12/h7-8,12,16H,1-6,9-11H2,(H,17,18).
What are the key properties of 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid?
5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63317129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).