N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide

C16H24N2O3 — CID 135401351

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-7-8-16(21)18-17-12(2)14-10-9-13(19)11-15(14)20/h9-11,19-20H,3-8H2,1-2H3,(H,18,21)/b17-12+
InChIKeyJSISUOJMNNBRHL-SFQUDFHCSA-N
MW292.38 g/mol
LogP3.30
Rot. Bonds8

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide (PubChem CID 135401351) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide
PubChem CID135401351
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1O
InChIInChI=1S/C16H24N2O3/c1-3-4-5-6-7-8-16(21)18-17-12(2)14-10-9-13(19)11-15(14)20/h9-11,19-20H,3-8H2,1-2H3,(H,18,21)/b17-12+
InChIKeyJSISUOJMNNBRHL-SFQUDFHCSA-N
XLogP3.30
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide (CID 135401351) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide is CCCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide?
The InChIKey is JSISUOJMNNBRHL-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-6-7-8-16(21)18-17-12(2)14-10-9-13(19)11-15(14)20/h9-11,19-20H,3-8H2,1-2H3,(H,18,21)/b17-12+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide has a molecular weight of 292.38 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]octanamide is sourced from PubChem (CID 135401351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).