4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide

C14H18N2O2 — CID 6339655

IUPAC4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCC/C(=N\NC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)15-16-14(18)11-5-7-13(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)/b15-12+/t10-/m0/s1
InChIKeyPZFKYEQRCAWRHQ-PTFXAJSMSA-N
MW246.31 g/mol
LogP2.69
Rot. Bonds2

About 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide

4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide (PubChem CID 6339655) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
PubChem CID6339655
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCC/C(=N\NC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)15-16-14(18)11-5-7-13(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)/b15-12+/t10-/m0/s1
InChIKeyPZFKYEQRCAWRHQ-PTFXAJSMSA-N
XLogP2.69
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide (CID 6339655) is 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide is C[C@H]1CCC/C(=N\NC(=O)c2ccc(O)cc2)C1.
What is the InChIKey of 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
The InChIKey is PZFKYEQRCAWRHQ-PTFXAJSMSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)15-16-14(18)11-5-7-13(17)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,18)/b15-12+/t10-/m0/s1.
What are the key properties of 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide?
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide has a molecular weight of 246.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 6339655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).