N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide

C31H33N3O2 — CID 157378283

IUPACN-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(/c1ccccc1)N(C)O.Cc1cccc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O.C15H15NO/c1-12-8-7-9-13(2)15(12)17-16(18(3)19)14-10-5-4-6-11-14;1-11-7-6-8-12(2)14(11)16-15(17)13-9-4-3-5-10-13/h4-11,19H,1-3H3;3-10H,1-2H3,(H,16,17)/b17-16-;
InChIKeyBKONFTVVPADNRA-XYJRJTJESA-N
MW479.62 g/mol
LogP7.26
Rot. Bonds4

About N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide

N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide (PubChem CID 157378283) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide
PubChem CID157378283
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide
SMILESCc1cccc(C)c1/N=C(/c1ccccc1)N(C)O.Cc1cccc(C)c1NC(=O)c1ccccc1
InChIInChI=1S/C16H18N2O.C15H15NO/c1-12-8-7-9-13(2)15(12)17-16(18(3)19)14-10-5-4-6-11-14;1-11-7-6-8-12(2)14(11)16-15(17)13-9-4-3-5-10-13/h4-11,19H,1-3H3;3-10H,1-2H3,(H,16,17)/b17-16-;
InChIKeyBKONFTVVPADNRA-XYJRJTJESA-N
XLogP7.26
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide;oxolan-1-ium;trichlorotitanium
CID 20752303
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2,6-dimethylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333180
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide?
The IUPAC name of N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide (CID 157378283) is N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide?
The canonical SMILES for N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide is Cc1cccc(C)c1/N=C(/c1ccccc1)N(C)O.Cc1cccc(C)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide?
The InChIKey is BKONFTVVPADNRA-XYJRJTJESA-N. The full InChI is InChI=1S/C16H18N2O.C15H15NO/c1-12-8-7-9-13(2)15(12)17-16(18(3)19)14-10-5-4-6-11-14;1-11-7-6-8-12(2)14(11)16-15(17)13-9-4-3-5-10-13/h4-11,19H,1-3H3;3-10H,1-2H3,(H,16,17)/b17-16-;.
What are the key properties of N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide?
N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide has a molecular weight of 479.62 g/mol, XLogP of 7.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)benzamide;N'-(2,6-dimethylphenyl)-N-hydroxy-N-methylbenzenecarboximidamide is sourced from PubChem (CID 157378283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).