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

C30H28N4O6 — CID 139088138

IUPAC4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1.COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/2C15H14N2O3/c2*1-20-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(18)8-6-12/h2*2-10,18H,1H3,(H,17,19)/b2*16-10+
InChIKeyANAGFZQERUTBHJ-UDGBXGIMSA-N
MW540.58 g/mol
LogP4.33
Rot. Bonds8

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

4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 139088138) has the molecular formula C30H28N4O6 and a molecular weight of 540.58 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
PubChem CID139088138
Molecular FormulaC30H28N4O6
Molecular Weight540.58 g/mol
Exact Mass540.20
IUPAC Name4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1.COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/2C15H14N2O3/c2*1-20-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(18)8-6-12/h2*2-10,18H,1H3,(H,17,19)/b2*16-10+
InChIKeyANAGFZQERUTBHJ-UDGBXGIMSA-N
XLogP4.33
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.58
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3728498
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 5427556
N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-[[3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]amino]benzamide
CID 143915664
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide (CID 139088138) is 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1.COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is ANAGFZQERUTBHJ-UDGBXGIMSA-N. The full InChI is InChI=1S/2C15H14N2O3/c2*1-20-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(18)8-6-12/h2*2-10,18H,1H3,(H,17,19)/b2*16-10+.
What are the key properties of 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 540.58 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 139088138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).