2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide

C24H23N3O4 — CID 3568710

IUPAC2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2O)c1C
InChIInChI=1S/C24H23N3O4/c1-16-8-7-13-22(17(16)2)31-15-23(29)26-20-11-5-4-10-19(20)24(30)27-25-14-18-9-3-6-12-21(18)28/h3-14,28H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZEBCSBQVKYSORJ-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.79
Rot. Bonds7

About 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide

2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 3568710) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID3568710
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2O)c1C
InChIInChI=1S/C24H23N3O4/c1-16-8-7-13-22(17(16)2)31-15-23(29)26-20-11-5-4-10-19(20)24(30)27-25-14-18-9-3-6-12-21(18)28/h3-14,28H,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyZEBCSBQVKYSORJ-UHFFFAOYSA-N
XLogP3.79
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
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'}

Analyze 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135752346
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
N'-[(Z)-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126165878
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 5161508
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
2-(2,3-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 17380454
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 3568710) is 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide is Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2O)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ZEBCSBQVKYSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-8-7-13-22(17(16)2)31-15-23(29)26-20-11-5-4-10-19(20)24(30)27-25-14-18-9-3-6-12-21(18)28/h3-14,28H,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3568710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).