5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid

C17H19NO5 — CID 91687999

IUPAC5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC
InChIInChI=1S/C17H19NO5/c1-3-4-5-16(19)18-12-10-11(6-7-14(12)22-2)13-8-9-15(23-13)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYMUXDTAKRWRSRZ-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.78
Rot. Bonds7

About 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid

5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid (PubChem CID 91687999) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
PubChem CID91687999
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid
SMILESCCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC
InChIInChI=1S/C17H19NO5/c1-3-4-5-16(19)18-12-10-11(6-7-14(12)22-2)13-8-9-15(23-13)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYMUXDTAKRWRSRZ-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-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687935
5-[4-chloro-3-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91687991
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-(2-methoxy-5-piperidin-1-ylphenyl)pentanamide
CID 110359665
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]pentanamide
CID 17163026
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
N-(2-methoxy-5-methylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524655
N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587388

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The IUPAC name of 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid (CID 91687999) is 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid is CCCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC.
What is the InChIKey of 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid?
The InChIKey is YMUXDTAKRWRSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-4-5-16(19)18-12-10-11(6-7-14(12)22-2)13-8-9-15(23-13)17(20)21/h6-10H,3-5H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-[4-methoxy-3-(pentanoylamino)phenyl]furan-2-carboxylic acid?
5-[4-methoxy-3-(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-3-(pentanoylamino)phenyl]furan-2-carboxylic acid is sourced from PubChem (CID 91687999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).