2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

C17H21N3O — CID 76939093

IUPAC2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(Cc1ccccc1)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C17H21N3O/c1-3-20(12-14-7-5-4-6-8-14)16-11-13(2)9-10-15(16)17(18)19-21/h4-11,21H,3,12H2,1-2H3,(H2,18,19)
InChIKeyNDVMMSZZANASFN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.12
Rot. Bonds5

About 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76939093) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76939093
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(Cc1ccccc1)c1cc(C)ccc1C(N)=NO
InChIInChI=1S/C17H21N3O/c1-3-20(12-14-7-5-4-6-8-14)16-11-13(2)9-10-15(16)17(18)19-21/h4-11,21H,3,12H2,1-2H3,(H2,18,19)
InChIKeyNDVMMSZZANASFN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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'}

Analyze 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
N'-hydroxy-4-methyl-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 77070455
2-[benzyl(ethyl)amino]-5-methylbenzenecarbothioamide
CID 107928507
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
4-[ethyl(pyridin-4-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81272941
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76939093) is 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is CCN(Cc1ccccc1)c1cc(C)ccc1C(N)=NO.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is NDVMMSZZANASFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-20(12-14-7-5-4-6-8-14)16-11-13(2)9-10-15(16)17(18)19-21/h4-11,21H,3,12H2,1-2H3,(H2,18,19).
What are the key properties of 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 283.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76939093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).