2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide

C18H20N2O3 — CID 139074101

IUPAC2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide
SMILESCc1ccc(O)c(/C(=N\NC(=O)c2ccccc2O)C(C)C)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)17(14-10-12(3)8-9-16(14)22)19-20-18(23)13-6-4-5-7-15(13)21/h4-11,21-22H,1-3H3,(H,20,23)/b19-17-
InChIKeyZPVLGUPIFGZZTM-ZPHPHTNESA-N
MW312.37 g/mol
LogP3.20
Rot. Bonds4

About 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide

2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide (PubChem CID 139074101) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide
PubChem CID139074101
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide
SMILESCc1ccc(O)c(/C(=N\NC(=O)c2ccccc2O)C(C)C)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)17(14-10-12(3)8-9-16(14)22)19-20-18(23)13-6-4-5-7-15(13)21/h4-11,21-22H,1-3H3,(H,20,23)/b19-17-
InChIKeyZPVLGUPIFGZZTM-ZPHPHTNESA-N
XLogP3.20
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide (CID 139074101) is 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide is Cc1ccc(O)c(/C(=N\NC(=O)c2ccccc2O)C(C)C)c1.
What is the InChIKey of 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide?
The InChIKey is ZPVLGUPIFGZZTM-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)17(14-10-12(3)8-9-16(14)22)19-20-18(23)13-6-4-5-7-15(13)21/h4-11,21-22H,1-3H3,(H,20,23)/b19-17-.
What are the key properties of 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide?
2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methylpropylidene]amino]benzamide is sourced from PubChem (CID 139074101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).