4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide

C18H20N4O4 — CID 55500664

IUPAC4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CON=C(N)COc2ccccc2)cc1
InChIInChI=1S/C18H20N4O4/c1-20-18(24)13-7-9-14(10-8-13)21-17(23)12-26-22-16(19)11-25-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyWRJKRINZYBKSEZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.35
Rot. Bonds8

About 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide

4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide (PubChem CID 55500664) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide
PubChem CID55500664
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CON=C(N)COc2ccccc2)cc1
InChIInChI=1S/C18H20N4O4/c1-20-18(24)13-7-9-14(10-8-13)21-17(23)12-26-22-16(19)11-25-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyWRJKRINZYBKSEZ-UHFFFAOYSA-N
XLogP1.35
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide (CID 55500664) is 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CON=C(N)COc2ccccc2)cc1.
What is the InChIKey of 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide?
The InChIKey is WRJKRINZYBKSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-20-18(24)13-7-9-14(10-8-13)21-17(23)12-26-22-16(19)11-25-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide?
4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide has a molecular weight of 356.38 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-amino-2-phenoxyethylidene)amino]oxyacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55500664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).