N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide

C23H24N2O4 — CID 87537496

IUPACN'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C(/C(N)=N/O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-19-10-4-16(5-11-19)23(22(24)25-26,17-6-12-20(28-2)13-7-17)18-8-14-21(29-3)15-9-18/h4-15,26H,1-3H3,(H2,24,25)
InChIKeyVKRQITICEFSSSF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds7

About N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide

N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide (PubChem CID 87537496) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
PubChem CID87537496
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C(/C(N)=N/O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O4/c1-27-19-10-4-16(5-11-19)23(22(24)25-26,17-6-12-20(28-2)13-7-17)18-8-14-21(29-3)15-9-18/h4-15,26H,1-3H3,(H2,24,25)
InChIKeyVKRQITICEFSSSF-UHFFFAOYSA-N
XLogP3.79
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) N'-hydroxycarbamimidate
CID 71376980
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
2-[bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 54609840
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
CID 62482698
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide?
The IUPAC name of N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide (CID 87537496) is N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide is COc1ccc(C(/C(N)=N/O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide?
The InChIKey is VKRQITICEFSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-27-19-10-4-16(5-11-19)23(22(24)25-26,17-6-12-20(28-2)13-7-17)18-8-14-21(29-3)15-9-18/h4-15,26H,1-3H3,(H2,24,25).
What are the key properties of N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide?
N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide has a molecular weight of 392.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2,2-tris(4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 87537496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).