2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C16H23F3N4O — CID 111819634

IUPAC2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C16H23F3N4O/c1-4-11-7-6-8-12(5-2)14(11)22-15(20)21-9-13(24)23(3)10-16(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H3,20,21,22)
InChIKeyCBUGSFXPLUIFQL-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.56
Rot. Bonds6

About 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111819634) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111819634
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C16H23F3N4O/c1-4-11-7-6-8-12(5-2)14(11)22-15(20)21-9-13(24)23(3)10-16(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H3,20,21,22)
InChIKeyCBUGSFXPLUIFQL-UHFFFAOYSA-N
XLogP2.56
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-tert-butylacetamide
CID 111034562
2-[[amino-(2,5-diethoxyanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819701
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
1-(2,6-diethylphenyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099800
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819681
1-(2,6-diethylphenyl)-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111752106
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819698
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-(2,6-diethylphenyl)-2-(2-sulfamoylethyl)guanidine
CID 111046599
2-(2-tert-butylsulfinylethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111811417

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111819634) is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCc1cccc(CC)c1N/C(N)=N/CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CBUGSFXPLUIFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-4-11-7-6-8-12(5-2)14(11)22-15(20)21-9-13(24)23(3)10-16(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 344.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 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-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111819634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).