N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide

C11H15N3O2 — CID 62003274

IUPACN-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCc1cc(C)cc(N(C)C(=O)C(=O)NN)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(2)6-9(5-7)14(3)11(16)10(15)13-12/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyLXKLIDDUKIGVCP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds1

About N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide

N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide (PubChem CID 62003274) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
PubChem CID62003274
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCc1cc(C)cc(N(C)C(=O)C(=O)NN)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(2)6-9(5-7)14(3)11(16)10(15)13-12/h4-6H,12H2,1-3H3,(H,13,15)
InChIKeyLXKLIDDUKIGVCP-UHFFFAOYSA-N
XLogP0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(N,3,5-trimethylanilino)acetic acid
CID 62001578
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821
3-(4-aminophenyl)-1-(3,5-dimethylphenyl)-1-methylurea
CID 62003994
3-amino-1-(3,5-dimethylphenyl)-1-methyl-2-propylguanidine
CID 116514372
N-(3,5-dimethylphenyl)-N-methyl-2-sulfanylpropanamide
CID 107027681
2-bromo-N-(3,5-dimethylphenyl)-N-methylpropanamide
CID 107905090
N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
CID 62003887
N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 19021288
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide (CID 62003274) is N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide is Cc1cc(C)cc(N(C)C(=O)C(=O)NN)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide?
The InChIKey is LXKLIDDUKIGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-8(2)6-9(5-7)14(3)11(16)10(15)13-12/h4-6H,12H2,1-3H3,(H,13,15).
What are the key properties of N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide?
N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide has a molecular weight of 221.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 62003274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).