4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

C20H21N3O2 — CID 2392923

IUPAC4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
SMILESCN1/C(=C\C=NNC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-20(2)16-6-4-5-7-17(16)23(3)18(20)12-13-21-22-19(25)14-8-10-15(24)11-9-14/h4-13,24H,1-3H3,(H,22,25)/b18-12-,21-13?
InChIKeyKARVXBYKRRJYIH-WKVOYQFPSA-N
MW335.41 g/mol
LogP3.42
Rot. Bonds3

About 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide (PubChem CID 2392923) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
PubChem CID2392923
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
SMILESCN1/C(=C\C=NNC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-20(2)16-6-4-5-7-17(16)23(3)18(20)12-13-21-22-19(25)14-8-10-15(24)11-9-14/h4-13,24H,1-3H3,(H,22,25)/b18-12-,21-13?
InChIKeyKARVXBYKRRJYIH-WKVOYQFPSA-N
XLogP3.42
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.42
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-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]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 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The IUPAC name of 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide (CID 2392923) is 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide is CN1/C(=C\C=NNC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The InChIKey is KARVXBYKRRJYIH-WKVOYQFPSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2)16-6-4-5-7-17(16)23(3)18(20)12-13-21-22-19(25)14-8-10-15(24)11-9-14/h4-13,24H,1-3H3,(H,22,25)/b18-12-,21-13?.
What are the key properties of 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide is sourced from PubChem (CID 2392923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).