N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide

C20H32N2O3 — CID 135684070

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-12-20(24)22-21-16-17-13-14-18(23)19(15-17)25-4-2/h13-16,23H,3-12H2,1-2H3,(H,22,24)/b21-16+
InChIKeyAIRANXDPRLELHZ-LTGZKZEYSA-N
MW348.49 g/mol
LogP4.77
Rot. Bonds13

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide (PubChem CID 135684070) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
PubChem CID135684070
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1
InChIInChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-12-20(24)22-21-16-17-13-14-18(23)19(15-17)25-4-2/h13-16,23H,3-12H2,1-2H3,(H,22,24)/b21-16+
InChIKeyAIRANXDPRLELHZ-LTGZKZEYSA-N
XLogP4.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.77
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-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
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-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide (CID 135684070) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide is CCCCCCCCCCC(=O)N/N=C/c1ccc(O)c(OCC)c1.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide?
The InChIKey is AIRANXDPRLELHZ-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-5-6-7-8-9-10-11-12-20(24)22-21-16-17-13-14-18(23)19(15-17)25-4-2/h13-16,23H,3-12H2,1-2H3,(H,22,24)/b21-16+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide has a molecular weight of 348.49 g/mol, XLogP of 4.77, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide is sourced from PubChem (CID 135684070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).