2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide

C17H28N4O — CID 111034562

IUPAC2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)NC(C)(C)C
InChIInChI=1S/C17H28N4O/c1-6-12-9-8-10-13(7-2)15(12)20-16(18)19-11-14(22)21-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,21,22)(H3,18,19,20)
InChIKeyAPZHUWBKKWRHIF-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.45
Rot. Bonds5

About 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide

2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide (PubChem CID 111034562) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
PubChem CID111034562
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)NC(C)(C)C
InChIInChI=1S/C17H28N4O/c1-6-12-9-8-10-13(7-2)15(12)20-16(18)19-11-14(22)21-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,21,22)(H3,18,19,20)
InChIKeyAPZHUWBKKWRHIF-UHFFFAOYSA-N
XLogP2.45
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
2-[[amino-(4-methylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034564
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819634
1-(2,6-diethylphenyl)-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111752106
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
2-(2-tert-butylsulfonylethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111812125
2-(2-tert-butylsulfinylethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111811417
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 171343437
2-[[amino-(tert-butylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089389
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide (CID 111034562) is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide is CCc1cccc(CC)c1N/C(N)=N/CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide?
The InChIKey is APZHUWBKKWRHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-6-12-9-8-10-13(7-2)15(12)20-16(18)19-11-14(22)21-17(3,4)5/h8-10H,6-7,11H2,1-5H3,(H,21,22)(H3,18,19,20).
What are the key properties of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide?
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide has a molecular weight of 304.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide is sourced from PubChem (CID 111034562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).