N-[(E)-benzylideneamino]hexadecanamide

C23H38N2O — CID 45054744

IUPACN-[(E)-benzylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,25,26)/b24-21+
InChIKeyGYKSRJSKTNFONI-DARPEHSRSA-N
MW358.57 g/mol
LogP6.62
Rot. Bonds16

About N-[(E)-benzylideneamino]hexadecanamide

N-[(E)-benzylideneamino]hexadecanamide (PubChem CID 45054744) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]hexadecanamide
PubChem CID45054744
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC NameN-[(E)-benzylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,25,26)/b24-21+
InChIKeyGYKSRJSKTNFONI-DARPEHSRSA-N
XLogP6.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
Crebinostat
CID 25118059
3-Phenyl-5-pyrazolone
CID 78577
N'-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]octanediamide
CID 73707349
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-YL)-N'-[(1E,2E)-3-phenyl-2-propen-1-ylidene]acetohydrazide
CID 9593792
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-[(E)-(4-methylphenyl)methylidene]propanohydrazide
CID 9610217
N'-(4-ethylbenzylidene)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanohydrazide
CID 9628543
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N'-(4-methylbenzylidene)heptanohydrazide
CID 9657868
Acetic acid, cyano-, (phenylmethylene)hydrazide, (E)-
CID 6869220

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]hexadecanamide?
The IUPAC name of N-[(E)-benzylideneamino]hexadecanamide (CID 45054744) is N-[(E)-benzylideneamino]hexadecanamide.
What is the SMILES notation for N-[(E)-benzylideneamino]hexadecanamide?
The canonical SMILES for N-[(E)-benzylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]hexadecanamide?
The InChIKey is GYKSRJSKTNFONI-DARPEHSRSA-N. The full InChI is InChI=1S/C23H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(26)25-24-21-22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,25,26)/b24-21+.
What are the key properties of N-[(E)-benzylideneamino]hexadecanamide?
N-[(E)-benzylideneamino]hexadecanamide has a molecular weight of 358.57 g/mol, XLogP of 6.62, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]hexadecanamide is sourced from PubChem (CID 45054744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).