2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide

C17H19N3O2 — CID 16544849

IUPAC2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
SMILESN/C(=N\OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-17(15-9-5-2-6-10-15)20-22-13-16(21)19-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,18,20)(H,19,21)
InChIKeyIUKDPTSJSCKAIX-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.68
Rot. Bonds7

About 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide

2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide (PubChem CID 16544849) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
PubChem CID16544849
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide
SMILESN/C(=N\OCC(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-17(15-9-5-2-6-10-15)20-22-13-16(21)19-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,18,20)(H,19,21)
InChIKeyIUKDPTSJSCKAIX-UHFFFAOYSA-N
XLogP1.68
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18206703
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 51228335
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-benzylacetamide
CID 51228288
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
[2-oxo-2-(2-phenylethylamino)ethyl] 3-methylbut-2-enoate
CID 8760100
2-[(1-amino-2-phenylethylidene)amino]oxy-N-ethylacetamide
CID 76867264
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 18228701
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
(2S)-2-amino-N'-(2-phenylethyl)pentanediamide
CID 58987488

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide (CID 16544849) is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide is N/C(=N\OCC(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is IUKDPTSJSCKAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-17(15-9-5-2-6-10-15)20-22-13-16(21)19-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,18,20)(H,19,21).
What are the key properties of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide?
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16544849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).