2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide

C14H18N2O2 — CID 129360183

IUPAC2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1ccccc1O
InChIInChI=1S/C14H18N2O2/c1-10-6-2-4-8-12(10)15-16-14(18)11-7-3-5-9-13(11)17/h3,5,7,9-10,17H,2,4,6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCRWYOXAYKHRBAT-JTQLQIEISA-N
MW246.31 g/mol
LogP2.69
Rot. Bonds2

About 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide

2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide (PubChem CID 129360183) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
PubChem CID129360183
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide
SMILESC[C@H]1CCCCC1=NNC(=O)c1ccccc1O
InChIInChI=1S/C14H18N2O2/c1-10-6-2-4-8-12(10)15-16-14(18)11-7-3-5-9-13(11)17/h3,5,7,9-10,17H,2,4,6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCRWYOXAYKHRBAT-JTQLQIEISA-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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Related Compounds

2,5-dihydroxy-N-[(E)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 98299823
2,4-dihydroxy-N-[(Z)-(2-methylcyclohexylidene)amino]benzamide
CID 19916735
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
3-methyl-N-[[(2R)-2-methylcyclohexylidene]amino]-1-benzofuran-2-carboxamide
CID 9464639
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide (CID 129360183) is 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide is C[C@H]1CCCCC1=NNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide?
The InChIKey is CRWYOXAYKHRBAT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-2-4-8-12(10)15-16-14(18)11-7-3-5-9-13(11)17/h3,5,7,9-10,17H,2,4,6,8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide?
2-hydroxy-N-[[(2S)-2-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 2-hydroxy-N-[[(2S)-2-methylcyclohexylidene]amino]benzamide is sourced from PubChem (CID 129360183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).