5-methoxy-2-(octanoylamino)benzoic acid

C16H23NO4 — CID 78980039

IUPAC5-methoxy-2-(octanoylamino)benzoic acid
SMILESCCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-5-6-7-8-15(18)17-14-10-9-12(21-2)11-13(14)16(19)20/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFWLIXBXMACYOMY-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.69
Rot. Bonds9

About 5-methoxy-2-(octanoylamino)benzoic acid

5-methoxy-2-(octanoylamino)benzoic acid (PubChem CID 78980039) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-methoxy-2-(octanoylamino)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(octanoylamino)benzoic acid
PubChem CID78980039
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name5-methoxy-2-(octanoylamino)benzoic acid
SMILESCCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-5-6-7-8-15(18)17-14-10-9-12(21-2)11-13(14)16(19)20/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFWLIXBXMACYOMY-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.69
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

2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
5-methoxy-2-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 115411509
2-(hexacosanoylamino)benzoic acid
CID 123304158
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
5-chloro-2-[[(Z)-docos-13-enoyl]amino]benzoic acid
CID 70363049
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(octanoylamino)benzoic acid?
The IUPAC name of 5-methoxy-2-(octanoylamino)benzoic acid (CID 78980039) is 5-methoxy-2-(octanoylamino)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(octanoylamino)benzoic acid?
The canonical SMILES for 5-methoxy-2-(octanoylamino)benzoic acid is CCCCCCCC(=O)Nc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-(octanoylamino)benzoic acid?
The InChIKey is FWLIXBXMACYOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-5-6-7-8-15(18)17-14-10-9-12(21-2)11-13(14)16(19)20/h9-11H,3-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-methoxy-2-(octanoylamino)benzoic acid?
5-methoxy-2-(octanoylamino)benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(octanoylamino)benzoic acid is sourced from PubChem (CID 78980039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).