4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide

C18H20N2O3 — CID 110509442

IUPAC4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
SMILESCC(C)(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-16-10-4-13(5-11-16)12-19-20-17(22)14-6-8-15(21)9-7-14/h4-12,21H,1-3H3,(H,20,22)/b19-12-
InChIKeyNYYBARJEZVKXOS-UNOMPAQXSA-N
MW312.37 g/mol
LogP3.33
Rot. Bonds4

About 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide

4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide (PubChem CID 110509442) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
PubChem CID110509442
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide
SMILESCC(C)(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)23-16-10-4-13(5-11-16)12-19-20-17(22)14-6-8-15(21)9-7-14/h4-12,21H,1-3H3,(H,20,22)/b19-12-
InChIKeyNYYBARJEZVKXOS-UNOMPAQXSA-N
XLogP3.33
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.33
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-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide (CID 110509442) is 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide is CC(C)(C)Oc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide?
The InChIKey is NYYBARJEZVKXOS-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)23-16-10-4-13(5-11-16)12-19-20-17(22)14-6-8-15(21)9-7-14/h4-12,21H,1-3H3,(H,20,22)/b19-12-.
What are the key properties of 4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide?
4-hydroxy-N-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.33, 4 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-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 110509442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).