2-(N,3,5-trimethylanilino)acetohydrazide

C11H17N3O — CID 63583846

IUPAC2-(N,3,5-trimethylanilino)acetohydrazide
SMILESCc1cc(C)cc(N(C)CC(=O)NN)c1
InChIInChI=1S/C11H17N3O/c1-8-4-9(2)6-10(5-8)14(3)7-11(15)13-12/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyUDBSECMXTICBEH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds3

About 2-(N,3,5-trimethylanilino)acetohydrazide

2-(N,3,5-trimethylanilino)acetohydrazide (PubChem CID 63583846) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(N,3,5-trimethylanilino)acetohydrazide.

Molecular Properties

Compound Name2-(N,3,5-trimethylanilino)acetohydrazide
PubChem CID63583846
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(N,3,5-trimethylanilino)acetohydrazide
SMILESCc1cc(C)cc(N(C)CC(=O)NN)c1
InChIInChI=1S/C11H17N3O/c1-8-4-9(2)6-10(5-8)14(3)7-11(15)13-12/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyUDBSECMXTICBEH-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(N,3,5-trimethylanilino)acetamide
CID 47294515
2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
2-(3-amino-N,5-dimethylanilino)acetamide
CID 112647128
N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
CID 52689468
6-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbohydrazide
CID 106909203
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431
N-(3,5-dimethylphenyl)-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 62003274
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
4-bromo-N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891884
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide
CID 58811210
N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 39366683

Frequently Asked Questions

What is the IUPAC name of 2-(N,3,5-trimethylanilino)acetohydrazide?
The IUPAC name of 2-(N,3,5-trimethylanilino)acetohydrazide (CID 63583846) is 2-(N,3,5-trimethylanilino)acetohydrazide.
What is the SMILES notation for 2-(N,3,5-trimethylanilino)acetohydrazide?
The canonical SMILES for 2-(N,3,5-trimethylanilino)acetohydrazide is Cc1cc(C)cc(N(C)CC(=O)NN)c1.
What is the InChIKey of 2-(N,3,5-trimethylanilino)acetohydrazide?
The InChIKey is UDBSECMXTICBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-9(2)6-10(5-8)14(3)7-11(15)13-12/h4-6H,7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(N,3,5-trimethylanilino)acetohydrazide?
2-(N,3,5-trimethylanilino)acetohydrazide has a molecular weight of 207.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3,5-trimethylanilino)acetohydrazide is sourced from PubChem (CID 63583846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).