4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide

C19H20N2O3 — CID 172935100

IUPAC4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide
SMILESCC(C)/C=N/NC(=O)c1ccc(C(=O)Cc2ccccc2O)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)12-20-21-19(24)15-9-7-14(8-10-15)18(23)11-16-5-3-4-6-17(16)22/h3-10,12-13,22H,11H2,1-2H3,(H,21,24)/b20-12+
InChIKeyQDIJBZVJNAIOMM-UDWIEESQSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds6

About 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide

4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide (PubChem CID 172935100) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide
PubChem CID172935100
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide
SMILESCC(C)/C=N/NC(=O)c1ccc(C(=O)Cc2ccccc2O)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)12-20-21-19(24)15-9-7-14(8-10-15)18(23)11-16-5-3-4-6-17(16)22/h3-10,12-13,22H,11H2,1-2H3,(H,21,24)/b20-12+
InChIKeyQDIJBZVJNAIOMM-UDWIEESQSA-N
XLogP3.19
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
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'}

Analyze 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]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 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide?
The IUPAC name of 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide (CID 172935100) is 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide is CC(C)/C=N/NC(=O)c1ccc(C(=O)Cc2ccccc2O)cc1.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide?
The InChIKey is QDIJBZVJNAIOMM-UDWIEESQSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)12-20-21-19(24)15-9-7-14(8-10-15)18(23)11-16-5-3-4-6-17(16)22/h3-10,12-13,22H,11H2,1-2H3,(H,21,24)/b20-12+.
What are the key properties of 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide?
4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)acetyl]-N-[(E)-2-methylpropylideneamino]benzamide is sourced from PubChem (CID 172935100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).