4-[6-(furan-2-yl)hexylamino]benzoic acid

C17H21NO3 — CID 20536427

IUPAC4-[6-(furan-2-yl)hexylamino]benzoic acid
SMILESO=C(O)c1ccc(NCCCCCCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c19-17(20)14-8-10-15(11-9-14)18-12-4-2-1-3-6-16-7-5-13-21-16/h5,7-11,13,18H,1-4,6,12H2,(H,19,20)
InChIKeyFJEWTUHINBTJCS-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.19
Rot. Bonds9

About 4-[6-(furan-2-yl)hexylamino]benzoic acid

4-[6-(furan-2-yl)hexylamino]benzoic acid (PubChem CID 20536427) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[6-(furan-2-yl)hexylamino]benzoic acid.

Molecular Properties

Compound Name4-[6-(furan-2-yl)hexylamino]benzoic acid
PubChem CID20536427
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[6-(furan-2-yl)hexylamino]benzoic acid
SMILESO=C(O)c1ccc(NCCCCCCc2ccco2)cc1
InChIInChI=1S/C17H21NO3/c19-17(20)14-8-10-15(11-9-14)18-12-4-2-1-3-6-16-7-5-13-21-16/h5,7-11,13,18H,1-4,6,12H2,(H,19,20)
InChIKeyFJEWTUHINBTJCS-UHFFFAOYSA-N
XLogP4.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.19
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

4-(4-Methoxybenzylamino)benzoic acid
CID 2731039
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
Mls000758512
CID 332769
Butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 1903239
Ethyl 4-{[5-(2-furyl)-3-oxo-1-cyclohexen-1-yl]amino}benzoate
CID 2878114
{4-[3-(5-Methyl-furan-2-yl)-propionylamino]-phenyl}-acetic acid
CID 2988586
N-(furan-2-ylmethyl)-3,4-dimethylaniline;oxalic acid
CID 16192727
4-acetamido-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24240781
butyl 4-{[(2E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzoate
CID 1561945
Propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2165163
N-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]-4-methoxyaniline
CID 2772051
3-(4-Ethylanilino)-5-(2-furyl)cyclohex-2-en-1-one
CID 2887084

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-yl)hexylamino]benzoic acid?
The IUPAC name of 4-[6-(furan-2-yl)hexylamino]benzoic acid (CID 20536427) is 4-[6-(furan-2-yl)hexylamino]benzoic acid.
What is the SMILES notation for 4-[6-(furan-2-yl)hexylamino]benzoic acid?
The canonical SMILES for 4-[6-(furan-2-yl)hexylamino]benzoic acid is O=C(O)c1ccc(NCCCCCCc2ccco2)cc1.
What is the InChIKey of 4-[6-(furan-2-yl)hexylamino]benzoic acid?
The InChIKey is FJEWTUHINBTJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-17(20)14-8-10-15(11-9-14)18-12-4-2-1-3-6-16-7-5-13-21-16/h5,7-11,13,18H,1-4,6,12H2,(H,19,20).
What are the key properties of 4-[6-(furan-2-yl)hexylamino]benzoic acid?
4-[6-(furan-2-yl)hexylamino]benzoic acid has a molecular weight of 287.36 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-yl)hexylamino]benzoic acid is sourced from PubChem (CID 20536427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).