4-[(octanoylhydrazinylidene)methyl]benzoic acid

C16H22N2O3 — CID 171131907

IUPAC4-[(octanoylhydrazinylidene)methyl]benzoic acid
SMILESCCCCCCCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(11-9-13)16(20)21/h8-12H,2-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyUFPSWKBZBKRMTI-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.20
Rot. Bonds9

About 4-[(octanoylhydrazinylidene)methyl]benzoic acid

4-[(octanoylhydrazinylidene)methyl]benzoic acid (PubChem CID 171131907) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[(octanoylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(octanoylhydrazinylidene)methyl]benzoic acid
PubChem CID171131907
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[(octanoylhydrazinylidene)methyl]benzoic acid
SMILESCCCCCCCC(=O)NN=Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(11-9-13)16(20)21/h8-12H,2-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyUFPSWKBZBKRMTI-UHFFFAOYSA-N
XLogP3.20
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(octanoylhydrazinylidene)methyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248
N-[(E)-(4-tert-butylphenyl)methylideneamino]nonanamide
CID 6012632
N-[(E)-(4-methylphenyl)methylideneamino]octanamide
CID 6042307
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
N-[(E)-(4-propylphenyl)methylideneamino]decanamide
CID 6012136
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467

Frequently Asked Questions

What is the IUPAC name of 4-[(octanoylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(octanoylhydrazinylidene)methyl]benzoic acid (CID 171131907) is 4-[(octanoylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(octanoylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(octanoylhydrazinylidene)methyl]benzoic acid is CCCCCCCC(=O)NN=Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(octanoylhydrazinylidene)methyl]benzoic acid?
The InChIKey is UFPSWKBZBKRMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-4-5-6-7-15(19)18-17-12-13-8-10-14(11-9-13)16(20)21/h8-12H,2-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(octanoylhydrazinylidene)methyl]benzoic acid?
4-[(octanoylhydrazinylidene)methyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(octanoylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 171131907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).