N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide

C14H18N2O2 — CID 966794

IUPACN-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O2/c17-13-8-4-5-11(9-13)10-15-16-14(18)12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)
InChIKeyOYKZJIUJJCKEMT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds3

About N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide

N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 966794) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID966794
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(NN=Cc1cccc(O)c1)C1CCCCC1
InChIInChI=1S/C14H18N2O2/c17-13-8-4-5-11(9-13)10-15-16-14(18)12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18)
InChIKeyOYKZJIUJJCKEMT-UHFFFAOYSA-N
XLogP2.42
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
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

(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(3-phenylmethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 922326
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-[(Z)-(3,4-difluorophenyl)methylideneamino]cyclohexanecarboxamide
CID 9465740
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]piperidin-1-ium-4-carboxamide
CID 6978964
1-[(4-bromophenyl)methyl]-N-[(3-hydroxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 1271975
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
N-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide (CID 966794) is N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide is O=C(NN=Cc1cccc(O)c1)C1CCCCC1.
What is the InChIKey of N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is OYKZJIUJJCKEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13-8-4-5-11(9-13)10-15-16-14(18)12-6-2-1-3-7-12/h4-5,8-10,12,17H,1-3,6-7H2,(H,16,18).
What are the key properties of N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide?
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 966794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).