2-(2,6-diethylanilino)acetohydrazide

C12H19N3O — CID 13014243

IUPAC2-(2,6-diethylanilino)acetohydrazide
SMILESCCc1cccc(CC)c1NCC(=O)NN
InChIInChI=1S/C12H19N3O/c1-3-9-6-5-7-10(4-2)12(9)14-8-11(16)15-13/h5-7,14H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyJAVFLGCTQKOUTK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds5

About 2-(2,6-diethylanilino)acetohydrazide

2-(2,6-diethylanilino)acetohydrazide (PubChem CID 13014243) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)acetohydrazide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)acetohydrazide
PubChem CID13014243
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2,6-diethylanilino)acetohydrazide
SMILESCCc1cccc(CC)c1NCC(=O)NN
InChIInChI=1S/C12H19N3O/c1-3-9-6-5-7-10(4-2)12(9)14-8-11(16)15-13/h5-7,14H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyJAVFLGCTQKOUTK-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
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

2-(2,6-diethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 62328197
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
2-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994657
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109008014

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)acetohydrazide?
The IUPAC name of 2-(2,6-diethylanilino)acetohydrazide (CID 13014243) is 2-(2,6-diethylanilino)acetohydrazide.
What is the SMILES notation for 2-(2,6-diethylanilino)acetohydrazide?
The canonical SMILES for 2-(2,6-diethylanilino)acetohydrazide is CCc1cccc(CC)c1NCC(=O)NN.
What is the InChIKey of 2-(2,6-diethylanilino)acetohydrazide?
The InChIKey is JAVFLGCTQKOUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-6-5-7-10(4-2)12(9)14-8-11(16)15-13/h5-7,14H,3-4,8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,6-diethylanilino)acetohydrazide?
2-(2,6-diethylanilino)acetohydrazide has a molecular weight of 221.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)acetohydrazide is sourced from PubChem (CID 13014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).