N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide

C14H14N2O — CID 5464925

IUPACN'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-16(13-10-6-3-7-11-13)14(15-17)12-8-4-2-5-9-12/h2-11,17H,1H3/b15-14-
InChIKeyXQNPFLAAKWMIDR-PFONDFGASA-N
MW226.28 g/mol
LogP2.96
Rot. Bonds2

About N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide

N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide (PubChem CID 5464925) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide
PubChem CID5464925
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide
SMILESCN(/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-16(13-10-6-3-7-11-13)14(15-17)12-8-4-2-5-9-12/h2-11,17H,1H3/b15-14-
InChIKeyXQNPFLAAKWMIDR-PFONDFGASA-N
XLogP2.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.96
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': 'oxime_1', '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-methyl-N-phenylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide (CID 5464925) is N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide is CN(/C(=N\O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide?
The InChIKey is XQNPFLAAKWMIDR-PFONDFGASA-N. The full InChI is InChI=1S/C14H14N2O/c1-16(13-10-6-3-7-11-13)14(15-17)12-8-4-2-5-9-12/h2-11,17H,1H3/b15-14-.
What are the key properties of N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide?
N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide has a molecular weight of 226.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-methyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 5464925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).