butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate

C20H22N2O4 — CID 7644073

IUPACbutyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CO/N=C\c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)15-26-21-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,22,23)/b21-14-
InChIKeyZEAFPTVDQAECGX-STZFKDTASA-N
MW354.41 g/mol
LogP3.63
Rot. Bonds9

About butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate

butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate (PubChem CID 7644073) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate
PubChem CID7644073
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebutyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)CO/N=C\c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)15-26-21-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,22,23)/b21-14-
InChIKeyZEAFPTVDQAECGX-STZFKDTASA-N
XLogP3.63
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
butyl 4-[[2-[(Z)-2-acetamido-3-phenylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 18225441
methyl 4-[(E)-[2-(4-ethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 42967708
methyl 4-[(E)-[2-oxo-2-(4-propylanilino)ethoxy]iminomethyl]benzoate
CID 24581694
butyl 4-(decanoylamino)benzoate
CID 3404776
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
methyl 4-[(E)-[2-(4-iodoanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 6909542
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
butyl 4-[[2-[2-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
CID 55326461

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate (CID 7644073) is butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)CO/N=C\c2ccccc2)cc1.
What is the InChIKey of butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate?
The InChIKey is ZEAFPTVDQAECGX-STZFKDTASA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-3-13-25-20(24)17-9-11-18(12-10-17)22-19(23)15-26-21-14-16-7-5-4-6-8-16/h4-12,14H,2-3,13,15H2,1H3,(H,22,23)/b21-14-.
What are the key properties of butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate?
butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).