2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

C24H23N3O3 — CID 25237600

IUPAC2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-6-10-21(23(16)29)24(30)27-26-17(2)19-11-13-20(14-12-19)25-22(28)15-18-8-4-3-5-9-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,27,30)/b26-17+
InChIKeyZBHKNUXYMXGKGV-YZSQISJMSA-N
MW401.47 g/mol
LogP4.04
Rot. Bonds6

About 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide

2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 25237600) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID25237600
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-6-10-21(23(16)29)24(30)27-26-17(2)19-11-13-20(14-12-19)25-22(28)15-18-8-4-3-5-9-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,27,30)/b26-17+
InChIKeyZBHKNUXYMXGKGV-YZSQISJMSA-N
XLogP4.04
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.04
H-Bond Donors ≤ 53
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'}

Analyze 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]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-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide (CID 25237600) is 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is ZBHKNUXYMXGKGV-YZSQISJMSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-7-6-10-21(23(16)29)24(30)27-26-17(2)19-11-13-20(14-12-19)25-22(28)15-18-8-4-3-5-9-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,27,30)/b26-17+.
What are the key properties of 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide?
2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(E)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 25237600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).