N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide

C15H16N2O — CID 12966219

IUPACN-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/C(=N/c2cccc(C)c2)NO)cc1
InChIInChI=1S/C15H16N2O/c1-11-6-8-13(9-7-11)15(17-18)16-14-5-3-4-12(2)10-14/h3-10,18H,1-2H3,(H,16,17)
InChIKeyRQJKOJCNKCQYNC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.36
Rot. Bonds2

About N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide

N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide (PubChem CID 12966219) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
PubChem CID12966219
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/C(=N/c2cccc(C)c2)NO)cc1
InChIInChI=1S/C15H16N2O/c1-11-6-8-13(9-7-11)15(17-18)16-14-5-3-4-12(2)10-14/h3-10,18H,1-2H3,(H,16,17)
InChIKeyRQJKOJCNKCQYNC-UHFFFAOYSA-N
XLogP3.36
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
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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Related Compounds

4-methyl-N'-(3-methylphenyl)-N-phenylmethoxybenzenecarboximidamide
CID 12966226
N-(3-methylphenyl)butan-2-imine
CID 54385818
N-hydroxy-N'-(3-methylphenyl)methanimidamide
CID 20763605
3-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]aniline
CID 9060581
1-(4-methoxyphenyl)-N-(3-methylphenyl)-1-phenylmethanimine
CID 144623857
1-(4-methylphenyl)-3-(3-methylphenyl)iminopropan-1-one
CID 4131662
bis(2-(3-methylphenyl)guanidine);sulfuric acid
CID 131842572
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
1-(4-methylphenyl)-3-(3-methylphenyl)sulfanyl-N-phenylprop-2-en-1-imine
CID 91197103

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide?
The IUPAC name of N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide (CID 12966219) is N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide is Cc1ccc(/C(=N/c2cccc(C)c2)NO)cc1.
What is the InChIKey of N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide?
The InChIKey is RQJKOJCNKCQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-6-8-13(9-7-11)15(17-18)16-14-5-3-4-12(2)10-14/h3-10,18H,1-2H3,(H,16,17).
What are the key properties of N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide?
N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-N'-(3-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 12966219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).