N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide

C15H20N2O2 — CID 135607021

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C15H20N2O2/c1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12/h5-6,9-10,12,18H,2-4,7-8H2,1H3,(H,17,19)/b16-11+
InChIKeyZHQOBJVGTXCVBO-LFIBNONCSA-N
MW260.34 g/mol
LogP2.81
Rot. Bonds3

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (PubChem CID 135607021) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
PubChem CID135607021
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)c1ccccc1O
InChIInChI=1S/C15H20N2O2/c1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12/h5-6,9-10,12,18H,2-4,7-8H2,1H3,(H,17,19)/b16-11+
InChIKeyZHQOBJVGTXCVBO-LFIBNONCSA-N
XLogP2.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (CID 135607021) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is C/C(=N\NC(=O)C1CCCCC1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The InChIKey is ZHQOBJVGTXCVBO-LFIBNONCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(13-9-5-6-10-14(13)18)16-17-15(19)12-7-3-2-4-8-12/h5-6,9-10,12,18H,2-4,7-8H2,1H3,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 135607021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).