N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide

C16H18N2O — CID 71372467

IUPACN-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide
SMILESC/C(=N\c1ccc(C)cc1)N(O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-8-15(9-5-12)17-14(3)18(19)16-10-6-13(2)7-11-16/h4-11,19H,1-3H3/b17-14+
InChIKeyUZGMQXCFCCZIPR-SAPNQHFASA-N
MW254.33 g/mol
LogP4.25
Rot. Bonds2

About N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide

N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide (PubChem CID 71372467) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide
PubChem CID71372467
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide
SMILESC/C(=N\c1ccc(C)cc1)N(O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O/c1-12-4-8-15(9-5-12)17-14(3)18(19)16-10-6-13(2)7-11-16/h4-11,19H,1-3H3/b17-14+
InChIKeyUZGMQXCFCCZIPR-SAPNQHFASA-N
XLogP4.25
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide?
The IUPAC name of N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide (CID 71372467) is N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide.
What is the SMILES notation for N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide?
The canonical SMILES for N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide is C/C(=N\c1ccc(C)cc1)N(O)c1ccc(C)cc1.
What is the InChIKey of N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide?
The InChIKey is UZGMQXCFCCZIPR-SAPNQHFASA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-8-15(9-5-12)17-14(3)18(19)16-10-6-13(2)7-11-16/h4-11,19H,1-3H3/b17-14+.
What are the key properties of N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide?
N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide has a molecular weight of 254.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N,N'-bis(4-methylphenyl)ethanimidamide is sourced from PubChem (CID 71372467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).