4-(nonanoylamino)benzoic acid

C16H23NO3 — CID 11425900

IUPAC4-(nonanoylamino)benzoic acid
SMILESCCCCCCCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyAYMFOYYNCPJPKP-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.07
Rot. Bonds9

About 4-(nonanoylamino)benzoic acid

4-(nonanoylamino)benzoic acid (PubChem CID 11425900) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(nonanoylamino)benzoic acid.

Molecular Properties

Compound Name4-(nonanoylamino)benzoic acid
PubChem CID11425900
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(nonanoylamino)benzoic acid
SMILESCCCCCCCCC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyAYMFOYYNCPJPKP-UHFFFAOYSA-N
XLogP4.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(nonanoylamino)benzoic acid?
The IUPAC name of 4-(nonanoylamino)benzoic acid (CID 11425900) is 4-(nonanoylamino)benzoic acid.
What is the SMILES notation for 4-(nonanoylamino)benzoic acid?
The canonical SMILES for 4-(nonanoylamino)benzoic acid is CCCCCCCCC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(nonanoylamino)benzoic acid?
The InChIKey is AYMFOYYNCPJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(nonanoylamino)benzoic acid?
4-(nonanoylamino)benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(nonanoylamino)benzoic acid is sourced from PubChem (CID 11425900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).