4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

C17H18N2O3 — CID 112537987

IUPAC4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(2)22-16-9-3-13(4-10-16)11-18-19-17(21)14-5-7-15(20)8-6-14/h3-12,20H,1-2H3,(H,19,21)/b18-11-
InChIKeyCMCPBBZTUQRPCV-WQRHYEAKSA-N
MW298.34 g/mol
LogP2.94
Rot. Bonds5

About 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 112537987) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID112537987
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCC(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(2)22-16-9-3-13(4-10-16)11-18-19-17(21)14-5-7-15(20)8-6-14/h3-12,20H,1-2H3,(H,19,21)/b18-11-
InChIKeyCMCPBBZTUQRPCV-WQRHYEAKSA-N
XLogP2.94
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.94
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

4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
2-(4-hydroxyphenyl)-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 110515550
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
CID 110509442
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(3,5-dibromo-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509420
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215811
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 112537987) is 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is CC(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is CMCPBBZTUQRPCV-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(2)22-16-9-3-13(4-10-16)11-18-19-17(21)14-5-7-15(20)8-6-14/h3-12,20H,1-2H3,(H,19,21)/b18-11-.
What are the key properties of 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 112537987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).