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

C22H19N3O4 — CID 135696876

IUPAC4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C22H19N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyBZTQRVPSUHEVMW-OEAKJJBVSA-N
MW389.41 g/mol
LogP3.42
Rot. Bonds6

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

4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 135696876) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID135696876
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1O
InChIInChI=1S/C22H19N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKeyBZTQRVPSUHEVMW-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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Related Compounds

4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]benzoic acid
CID 135412138
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
4-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]benzoic acid
CID 9633163
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354
N-(1-{[2-(4-hydroxy-3,5-dimethoxybenzylidene)hydrazino]carbonyl}-2-phenylvinyl)benzamide
CID 135470831
(E)-4-(3-(3,4-dimethoxyphenyl)acrylamido)benzamide
CID 717538
N-Cyclopropyl-4-{2-[3-(3,4-dimethoxy-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetylamino}-benzamide
CID 3224556
1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3983721
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
[2-ethoxy-4-[(Z)-[[4-(propanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5430393

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 135696876) is 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1O.
What is the InChIKey of 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is BZTQRVPSUHEVMW-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-20-13-15(7-12-19(20)26)14-23-25-22(28)17-8-10-18(11-9-17)24-21(27)16-5-3-2-4-6-16/h2-14,26H,1H3,(H,24,27)(H,25,28)/b23-14+.
What are the key properties of 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
4-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 4-benzamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135696876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).