3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C22H19N3O4 — CID 135693604

IUPAC3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O
InChIInChI=1S/C22H19N3O4/c1-29-20-12-15(10-11-19(20)26)14-23-25-22(28)17-8-5-9-18(13-17)24-21(27)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyLOIJGQHADXQMMX-OEAKJJBVSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds6

About 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135693604) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID135693604
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O
InChIInChI=1S/C22H19N3O4/c1-29-20-12-15(10-11-19(20)26)14-23-25-22(28)17-8-5-9-18(13-17)24-21(27)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyLOIJGQHADXQMMX-OEAKJJBVSA-N
XLogP3.42
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 135693604) is 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O.
What is the InChIKey of 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is LOIJGQHADXQMMX-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-20-12-15(10-11-19(20)26)14-23-25-22(28)17-8-5-9-18(13-17)24-21(27)16-6-3-2-4-7-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+.
What are the key properties of 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135693604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).