N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide

C23H21N3O5 — CID 135510994

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-17-10-8-16(9-11-17)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-15-7-12-20(27)21(13-15)31-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+
InChIKeyVAEJRGZLHWKKLV-ZVHZXABRSA-N
MW419.44 g/mol
LogP3.43
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 135510994) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID135510994
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-17-10-8-16(9-11-17)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-15-7-12-20(27)21(13-15)31-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+
InChIKeyVAEJRGZLHWKKLV-ZVHZXABRSA-N
XLogP3.43
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-phenyl-2-[(3,4,5-trimethoxybenzylidene)amino]benzamide
CID 1009810
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
2-(4-hydroxy-3-methoxyphenyl)-3-{[(1E)-1-(4-methoxyphenyl)ethylidene]amino}-2,3-dihydroquinazolin-4(1H)-one
CID 9651049
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
CID 164628455
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
4-methoxy-N-(2-{[2-(2-methoxybenzylidene)hydrazino]carbonyl}phenyl)benzamide
CID 9564909
N-(2-{N'-[(E)-(4-Ethoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-4-methoxybenzamide
CID 9597135
N-[(E)-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 9640944
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[4-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
CID 46934681
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}-3,4-dimethoxybenzamide
CID 56642869
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411842

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide (CID 135510994) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is VAEJRGZLHWKKLV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-17-10-8-16(9-11-17)22(28)25-19-6-4-3-5-18(19)23(29)26-24-14-15-7-12-20(27)21(13-15)31-2/h3-14,27H,1-2H3,(H,25,28)(H,26,29)/b24-14+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 419.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 135510994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).