4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide

C17H17N3O3 — CID 7705350

IUPAC4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-2-4-13(5-3-12)10-19-23-11-16(21)20-15-8-6-14(7-9-15)17(18)22/h2-10H,11H2,1H3,(H2,18,22)(H,20,21)/b19-10-
InChIKeyKHILIWGQNRRZGU-GRSHGNNSSA-N
MW311.34 g/mol
LogP2.08
Rot. Bonds6

About 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide

4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide (PubChem CID 7705350) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
PubChem CID7705350
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O3/c1-12-2-4-13(5-3-12)10-19-23-11-16(21)20-15-8-6-14(7-9-15)17(18)22/h2-10H,11H2,1H3,(H2,18,22)(H,20,21)/b19-10-
InChIKeyKHILIWGQNRRZGU-GRSHGNNSSA-N
XLogP2.08
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
methyl 4-[(E)-[2-(3,5-dimethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 51142359
methyl 4-[(E)-[2-(4-ethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 42967708
methyl 4-[(E)-[2-(4-iodoanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 6909542
N-(2,3-dihydro-1H-inden-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705544
methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate
CID 24606413
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 7704346
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide (CID 7705350) is 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide is Cc1ccc(/C=N\OCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide?
The InChIKey is KHILIWGQNRRZGU-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12-2-4-13(5-3-12)10-19-23-11-16(21)20-15-8-6-14(7-9-15)17(18)22/h2-10H,11H2,1H3,(H2,18,22)(H,20,21)/b19-10-.
What are the key properties of 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide?
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide is sourced from PubChem (CID 7705350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).