N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide

C23H38N2O3 — CID 136676038

IUPACN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(O)c(OCC)c1
InChIInChI=1S/C23H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24-19-20-16-17-21(26)22(18-20)28-4-2/h16-19,26H,3-15H2,1-2H3,(H,25,27)/b24-19-
InChIKeyLPJHSNYKICHMLW-CLCOLTQESA-N
MW390.57 g/mol
LogP5.94
Rot. Bonds16

About N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide

N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide (PubChem CID 136676038) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
PubChem CID136676038
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(O)c(OCC)c1
InChIInChI=1S/C23H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24-19-20-16-17-21(26)22(18-20)28-4-2/h16-19,26H,3-15H2,1-2H3,(H,25,27)/b24-19-
InChIKeyLPJHSNYKICHMLW-CLCOLTQESA-N
XLogP5.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(3,4-dihydroxyphenyl)methylideneamino]hexanamide
CID 2317832
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189
[2-ethoxy-4-[(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 5020169
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]pentanamide
CID 110506895

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide (CID 136676038) is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide is CCCCCCCCCCCCCC(=O)N/N=C\c1ccc(O)c(OCC)c1.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide?
The InChIKey is LPJHSNYKICHMLW-CLCOLTQESA-N. The full InChI is InChI=1S/C23H38N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-23(27)25-24-19-20-16-17-21(26)22(18-20)28-4-2/h16-19,26H,3-15H2,1-2H3,(H,25,27)/b24-19-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide?
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide has a molecular weight of 390.57 g/mol, XLogP of 5.94, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide is sourced from PubChem (CID 136676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).