methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate

C24H21N3O5 — CID 133240898

IUPACmethyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21N3O5/c1-31-24(30)19-10-12-20(13-11-19)26-22(28)23(29)27-25-15-18-8-5-9-21(14-18)32-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyPYAPUNKSXQVKMF-MYYYXRDXSA-N
MW431.45 g/mol
LogP3.14
Rot. Bonds7

About methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate

methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate (PubChem CID 133240898) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
PubChem CID133240898
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Namemethyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H21N3O5/c1-31-24(30)19-10-12-20(13-11-19)26-22(28)23(29)27-25-15-18-8-5-9-21(14-18)32-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyPYAPUNKSXQVKMF-MYYYXRDXSA-N
XLogP3.14
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
ethyl 4-[[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 94846532
[3-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061435
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate (CID 133240898) is methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate?
The InChIKey is PYAPUNKSXQVKMF-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-31-24(30)19-10-12-20(13-11-19)26-22(28)23(29)27-25-15-18-8-5-9-21(14-18)32-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H,26,28)(H,27,29)/b25-15-.
What are the key properties of methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate?
methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate has a molecular weight of 431.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate is sourced from PubChem (CID 133240898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).