methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate

C19H19N3O5 — CID 24606413

IUPACmethyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate
SMILESCNC(=O)c1ccc(NC(=O)CO/N=C/c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H19N3O5/c1-20-18(24)14-7-9-16(10-8-14)22-17(23)12-27-21-11-13-3-5-15(6-4-13)19(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)(H,22,23)/b21-11+
InChIKeyGMCQFQANSNKATQ-SRZZPIQSSA-N
MW369.38 g/mol
LogP1.82
Rot. Bonds7

About methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate

methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate (PubChem CID 24606413) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate
PubChem CID24606413
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate
SMILESCNC(=O)c1ccc(NC(=O)CO/N=C/c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H19N3O5/c1-20-18(24)14-7-9-16(10-8-14)22-17(23)12-27-21-11-13-3-5-15(6-4-13)19(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)(H,22,23)/b21-11+
InChIKeyGMCQFQANSNKATQ-SRZZPIQSSA-N
XLogP1.82
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl 4-[(E)-[2-(4-ethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 42967708
methyl 4-[(E)-[2-(4-iodoanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 6909542
methyl 4-[(E)-[2-oxo-2-(4-propylanilino)ethoxy]iminomethyl]benzoate
CID 24581694
methyl 4-[(E)-[2-(3,5-dimethylanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 51142359
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]iminomethyl]benzoate
CID 2084780
methyl 4-[[2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7700304
ethyl 4-[[2-[(4-chlorophenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 2128037
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
methyl 4-[[2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7702814
4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7644043
methyl 4-[[2-(2,5-difluoroanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 2109757
butyl 4-[[2-[(Z)-benzylideneamino]oxyacetyl]amino]benzoate
CID 7644073

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate?
The IUPAC name of methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate (CID 24606413) is methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate?
The canonical SMILES for methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate is CNC(=O)c1ccc(NC(=O)CO/N=C/c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate?
The InChIKey is GMCQFQANSNKATQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-20-18(24)14-7-9-16(10-8-14)22-17(23)12-27-21-11-13-3-5-15(6-4-13)19(25)26-2/h3-11H,12H2,1-2H3,(H,20,24)(H,22,23)/b21-11+.
What are the key properties of methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate?
methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate has a molecular weight of 369.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-[2-[4-(methylcarbamoyl)anilino]-2-oxoethoxy]iminomethyl]benzoate is sourced from PubChem (CID 24606413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).