N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide

C17H21N3O — CID 77070455

IUPACN'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)CCc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13-8-9-15(17(18)19-21)16(12-13)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H2,18,19)
InChIKeyGGKGGGQUOSXJQT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.77
Rot. Bonds5

About N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide

N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide (PubChem CID 77070455) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
PubChem CID77070455
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)CCc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c1-13-8-9-15(17(18)19-21)16(12-13)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H2,18,19)
InChIKeyGGKGGGQUOSXJQT-UHFFFAOYSA-N
XLogP2.77
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.77
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N'-hydroxy-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 114904090
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-chloro-N'-hydroxy-6-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070412
4-bromo-N'-hydroxy-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114903931
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide (CID 77070455) is N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide is Cc1ccc(C(N)=NO)c(N(C)CCc2ccccc2)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The InChIKey is GGKGGGQUOSXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-8-9-15(17(18)19-21)16(12-13)20(2)11-10-14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide has a molecular weight of 283.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 77070455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).