5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid

C17H19NO5 — CID 91687935

IUPAC5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO5/c1-3-4-5-16(19)18-13-10-11(22-2)6-7-12(13)14-8-9-15(23-14)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJTEKBINSBKOXCI-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.78
Rot. Bonds7

About 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid

5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91687935) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91687935
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C17H19NO5/c1-3-4-5-16(19)18-13-10-11(22-2)6-7-12(13)14-8-9-15(23-14)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJTEKBINSBKOXCI-UHFFFAOYSA-N
XLogP3.78
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687999
5-[2-(hexanoylcarbamothioylamino)-4-methylphenyl]furan-2-carboxylic acid
CID 91687758
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
5-(4-methoxy-2-methylphenyl)furan-2-carboxylic acid
CID 62502482
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
5-[2-bromo-4-(pentanoylcarbamothioylamino)phenyl]furan-2-carboxylic acid
CID 91687877
5-[4-(hexanoylcarbamothioylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687880
5-[2-[(4-acetamidophenyl)sulfonylamino]-4-methoxyphenyl]furan-2-carboxylic acid
CID 91688158
5-[3-(butanoylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687975
5-[2-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687940

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid (CID 91687935) is 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid is CCCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is JTEKBINSBKOXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-4-5-16(19)18-13-10-11(22-2)6-7-12(13)14-8-9-15(23-14)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid?
5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91687935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).