4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide

C20H18N2O3 — CID 11809785

IUPAC4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H18N2O3/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-22-20(24)15-10-11-18(23)19(12-15)25-2/h3-12,23H,1-2H3,(H,22,24)/b21-13+
InChIKeyCAXCDTSMJVFGEP-FYJGNVAPSA-N
MW334.38 g/mol
LogP3.71
Rot. Bonds4

About 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide

4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide (PubChem CID 11809785) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide
PubChem CID11809785
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C(\C)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C20H18N2O3/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-22-20(24)15-10-11-18(23)19(12-15)25-2/h3-12,23H,1-2H3,(H,22,24)/b21-13+
InChIKeyCAXCDTSMJVFGEP-FYJGNVAPSA-N
XLogP3.71
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide (CID 11809785) is 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide is COc1cc(C(=O)N/N=C(\C)c2cccc3ccccc23)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide?
The InChIKey is CAXCDTSMJVFGEP-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(16-9-5-7-14-6-3-4-8-17(14)16)21-22-20(24)15-10-11-18(23)19(12-15)25-2/h3-12,23H,1-2H3,(H,22,24)/b21-13+.
What are the key properties of 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[(E)-1-naphthalen-1-ylethylideneamino]benzamide is sourced from PubChem (CID 11809785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).