2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide

C23H24N4O3 — CID 60591154

IUPAC2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO/N=C(/N)c1cccnc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-17(2)27(18-10-5-3-6-11-18)21(28)16-29-26-22(24)20-14-9-15-25-23(20)30-19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3,(H2,24,26)
InChIKeyHDWHJIIOANRJFG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.95
Rot. Bonds8

About 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide

2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide (PubChem CID 60591154) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
PubChem CID60591154
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CO/N=C(/N)c1cccnc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-17(2)27(18-10-5-3-6-11-18)21(28)16-29-26-22(24)20-14-9-15-25-23(20)30-19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3,(H2,24,26)
InChIKeyHDWHJIIOANRJFG-UHFFFAOYSA-N
XLogP3.95
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
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

N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993
2-[[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
CID 72691908
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
CID 75264488
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
2-[[amino(phenyl)methylidene]amino]oxy-N-ethyl-N-phenylacetamide
CID 2366807
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide (CID 60591154) is 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CO/N=C(/N)c1cccnc1Oc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is HDWHJIIOANRJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17(2)27(18-10-5-3-6-11-18)21(28)16-29-26-22(24)20-14-9-15-25-23(20)30-19-12-7-4-8-13-19/h3-15,17H,16H2,1-2H3,(H2,24,26).
What are the key properties of 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide?
2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 404.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(2-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 60591154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).