10-(2-formylanilino)-10-oxodecanoic acid

C17H23NO4 — CID 21037065

IUPAC10-(2-formylanilino)-10-oxodecanoic acid
SMILESO=Cc1ccccc1NC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C17H23NO4/c19-13-14-9-7-8-10-15(14)18-16(20)11-5-3-1-2-4-6-12-17(21)22/h7-10,13H,1-6,11-12H2,(H,18,20)(H,21,22)
InChIKeyZETKQWKHHIQPRZ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.64
Rot. Bonds11

About 10-(2-formylanilino)-10-oxodecanoic acid

10-(2-formylanilino)-10-oxodecanoic acid (PubChem CID 21037065) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 10-(2-formylanilino)-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(2-formylanilino)-10-oxodecanoic acid
PubChem CID21037065
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name10-(2-formylanilino)-10-oxodecanoic acid
SMILESO=Cc1ccccc1NC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C17H23NO4/c19-13-14-9-7-8-10-15(14)18-16(20)11-5-3-1-2-4-6-12-17(21)22/h7-10,13H,1-6,11-12H2,(H,18,20)(H,21,22)
InChIKeyZETKQWKHHIQPRZ-UHFFFAOYSA-N
XLogP3.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(2-formylanilino)-10-oxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(2-formylanilino)-10-oxodecanoic acid?
The IUPAC name of 10-(2-formylanilino)-10-oxodecanoic acid (CID 21037065) is 10-(2-formylanilino)-10-oxodecanoic acid.
What is the SMILES notation for 10-(2-formylanilino)-10-oxodecanoic acid?
The canonical SMILES for 10-(2-formylanilino)-10-oxodecanoic acid is O=Cc1ccccc1NC(=O)CCCCCCCCC(=O)O.
What is the InChIKey of 10-(2-formylanilino)-10-oxodecanoic acid?
The InChIKey is ZETKQWKHHIQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-13-14-9-7-8-10-15(14)18-16(20)11-5-3-1-2-4-6-12-17(21)22/h7-10,13H,1-6,11-12H2,(H,18,20)(H,21,22).
What are the key properties of 10-(2-formylanilino)-10-oxodecanoic acid?
10-(2-formylanilino)-10-oxodecanoic acid has a molecular weight of 305.37 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-formylanilino)-10-oxodecanoic acid is sourced from PubChem (CID 21037065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).