2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide

C22H21N3O3 — CID 7613199

IUPAC2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c23-22(18-9-5-2-6-10-18)25-28-16-21(26)24-19-11-13-20(14-12-19)27-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,25)(H,24,26)
InChIKeyGDGSUVMOEMRLKJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds8

About 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 7613199) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID7613199
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c23-22(18-9-5-2-6-10-18)25-28-16-21(26)24-19-11-13-20(14-12-19)27-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,25)(H,24,26)
InChIKeyGDGSUVMOEMRLKJ-UHFFFAOYSA-N
XLogP3.54
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 18228701
3-[[2-[(E)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxyacetyl]amino]-N-cyclopropylbenzamide
CID 47079159
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703
2-[(Z)-[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 99085781
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
2-naphthalen-2-yloxy-N-(4-phenylmethoxyphenyl)acetamide
CID 1352449
2-[[amino-[4-(pyridin-3-ylmethoxy)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methylphenyl)acetamide
CID 75264610
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 3-methoxybenzoate
CID 7703196

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide (CID 7613199) is 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide is N/C(=N/OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is GDGSUVMOEMRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c23-22(18-9-5-2-6-10-18)25-28-16-21(26)24-19-11-13-20(14-12-19)27-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H2,23,25)(H,24,26).
What are the key properties of 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 7613199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).