N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide

C24H40N2O3 — CID 136806672

IUPACN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cc(OC)ccc1O
InChIInChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)26-25-20-21-19-22(29-2)17-18-23(21)27/h17-20,27H,3-16H2,1-2H3,(H,26,28)
InChIKeySFNXYUSGWZLTAZ-UHFFFAOYSA-N
MW404.60 g/mol
LogP6.33
Rot. Bonds17

About N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide

N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide (PubChem CID 136806672) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
PubChem CID136806672
Molecular FormulaC24H40N2O3
Molecular Weight404.60 g/mol
Exact Mass404.30
IUPAC NameN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cc(OC)ccc1O
InChIInChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)26-25-20-21-19-22(29-2)17-18-23(21)27/h17-20,27H,3-16H2,1-2H3,(H,26,28)
InChIKeySFNXYUSGWZLTAZ-UHFFFAOYSA-N
XLogP6.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
3-(heptanoylamino)-N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135414090
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-pentylphenoxy)acetamide
CID 135781552
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-[(2-hydroxy-5-nitrosophenyl)methylideneamino]hexanamide
CID 175194656
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135665062
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 787794

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide?
The IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide (CID 136806672) is N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NN=Cc1cc(OC)ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide?
The InChIKey is SFNXYUSGWZLTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)26-25-20-21-19-22(29-2)17-18-23(21)27/h17-20,27H,3-16H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide?
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide has a molecular weight of 404.60 g/mol, XLogP of 6.33, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide is sourced from PubChem (CID 136806672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).