N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide

C15H20N2O3 — CID 135532188

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2CCCCC2)c1O
InChIInChI=1S/C15H20N2O3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11/h5,8-11,18H,2-4,6-7H2,1H3,(H,17,19)/b16-10+
InChIKeyXNIUJSXNLJKXPB-MHWRWJLKSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 135532188) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID135532188
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
SMILESCOc1cccc(/C=N/NC(=O)C2CCCCC2)c1O
InChIInChI=1S/C15H20N2O3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11/h5,8-11,18H,2-4,6-7H2,1H3,(H,17,19)/b16-10+
InChIKeyXNIUJSXNLJKXPB-MHWRWJLKSA-N
XLogP2.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
1-cyclohexyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135676379
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
1-(2-chlorobenzoyl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 137022805
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-(azepan-1-yl)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxoacetamide
CID 136764626
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 135603106
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
(4R)-1-[[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]amino]carbamothioyl]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]azepane-4-carboxamide
CID 136728364

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide (CID 135532188) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide is COc1cccc(/C=N/NC(=O)C2CCCCC2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is XNIUJSXNLJKXPB-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-13-9-5-8-12(14(13)18)10-16-17-15(19)11-6-3-2-4-7-11/h5,8-11,18H,2-4,6-7H2,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 135532188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).