2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide

C16H16N2O4 — CID 152758745

IUPAC2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2c(O)cccc2O)c(O)c1
InChIInChI=1S/C16H16N2O4/c1-9-6-10(2)11(14(21)7-9)8-17-18-16(22)15-12(19)4-3-5-13(15)20/h3-8,19-21H,1-2H3,(H,18,22)
InChIKeyFQKALNOQAJODPI-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.18
Rot. Bonds3

About 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide

2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide (PubChem CID 152758745) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
PubChem CID152758745
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2c(O)cccc2O)c(O)c1
InChIInChI=1S/C16H16N2O4/c1-9-6-10(2)11(14(21)7-9)8-17-18-16(22)15-12(19)4-3-5-13(15)20/h3-8,19-21H,1-2H3,(H,18,22)
InChIKeyFQKALNOQAJODPI-UHFFFAOYSA-N
XLogP2.18
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5222816
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
2,2-dimethyl-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 121263581
N,N'-bis[(2,4,6-trimethylphenyl)methylideneamino]hexanediamide
CID 5110124
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869850
1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
CID 7930509
N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
CID 135578491

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide (CID 152758745) is 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide is Cc1cc(C)c(C=NNC(=O)c2c(O)cccc2O)c(O)c1.
What is the InChIKey of 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide?
The InChIKey is FQKALNOQAJODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-6-10(2)11(14(21)7-9)8-17-18-16(22)15-12(19)4-3-5-13(15)20/h3-8,19-21H,1-2H3,(H,18,22).
What are the key properties of 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide?
2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide has a molecular weight of 300.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 152758745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).