N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide

C15H20N2O2 — CID 19685369

IUPACN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O2/c1-11(13-8-5-9-14(18)10-13)16-17-15(19)12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7H2,1H3,(H,17,19)/b16-11+
InChIKeyLIYOFPIRXHRACQ-LFIBNONCSA-N
MW260.34 g/mol
LogP2.81
Rot. Bonds3

About N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide

N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (PubChem CID 19685369) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
PubChem CID19685369
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
SMILESC/C(=N\NC(=O)C1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C15H20N2O2/c1-11(13-8-5-9-14(18)10-13)16-17-15(19)12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7H2,1H3,(H,17,19)/b16-11+
InChIKeyLIYOFPIRXHRACQ-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 5161964
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
1-(4-chlorophenyl)sulfonyl-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 17368336
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N,N'-bis[(E)-1-(3-hydroxyphenyl)ethylideneamino]propanediamide
CID 172984598
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N'-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]oxamide
CID 3771938
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[(E)-1-(3-bromophenyl)ethylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 56695642
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide (CID 19685369) is N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is C/C(=N\NC(=O)C1CCCCC1)c1cccc(O)c1.
What is the InChIKey of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
The InChIKey is LIYOFPIRXHRACQ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(13-8-5-9-14(18)10-13)16-17-15(19)12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7H2,1H3,(H,17,19)/b16-11+.
What are the key properties of N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide?
N-[(E)-1-(3-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-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 19685369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).