N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide

C15H18N2O3 — CID 5183767

IUPACN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)c2ccccc2O)C1
InChIInChI=1S/C15H18N2O3/c1-15(2)8-10(7-11(18)9-15)16-17-14(20)12-5-3-4-6-13(12)19/h3-6,19H,7-9H2,1-2H3,(H,17,20)
InChIKeyRYRVYJATPSUNNL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.26
Rot. Bonds2

About N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide (PubChem CID 5183767) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
PubChem CID5183767
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
SMILESCC1(C)CC(=O)CC(=NNC(=O)c2ccccc2O)C1
InChIInChI=1S/C15H18N2O3/c1-15(2)8-10(7-11(18)9-15)16-17-14(20)12-5-3-4-6-13(12)19/h3-6,19H,7-9H2,1-2H3,(H,17,20)
InChIKeyRYRVYJATPSUNNL-UHFFFAOYSA-N
XLogP2.26
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-methylbenzamide
CID 5398187
3-bromo-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide
CID 769816
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
N'-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-N-phenylbutanediamide
CID 5349687
N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-thiophen-2-yl-1H-indole-7-carboxamide
CID 7446150
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 922131
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922595
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]cyclohexanecarboxamide
CID 968956
2-bromo-N-[(3-oxocyclohexylidene)amino]benzamide
CID 3943626
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
2-hydroxy-N-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 135399110
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
CID 5419588

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide (CID 5183767) is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide is CC1(C)CC(=O)CC(=NNC(=O)c2ccccc2O)C1.
What is the InChIKey of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide?
The InChIKey is RYRVYJATPSUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)8-10(7-11(18)9-15)16-17-14(20)12-5-3-4-6-13(12)19/h3-6,19H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide?
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide is sourced from PubChem (CID 5183767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).