N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide

C14H20N2O2 — CID 135458735

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-15-11(2)12-7-9-13(17)10-8-12/h7-10,17H,3-6H2,1-2H3,(H,16,18)/b15-11+
InChIKeyLWRYHGRSPQDTET-RVDMUPIBSA-N
MW248.33 g/mol
LogP2.81
Rot. Bonds6

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide (PubChem CID 135458735) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide
PubChem CID135458735
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C(\C)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-15-11(2)12-7-9-13(17)10-8-12/h7-10,17H,3-6H2,1-2H3,(H,16,18)/b15-11+
InChIKeyLWRYHGRSPQDTET-RVDMUPIBSA-N
XLogP2.81
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide (CID 135458735) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide is CCCCCC(=O)N/N=C(\C)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide?
The InChIKey is LWRYHGRSPQDTET-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-5-6-14(18)16-15-11(2)12-7-9-13(17)10-8-12/h7-10,17H,3-6H2,1-2H3,(H,16,18)/b15-11+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide has a molecular weight of 248.33 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]hexanamide is sourced from PubChem (CID 135458735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).