2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide

C19H25IN4O — CID 111073638

IUPAC2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)Nc1ccccc1.I
InChIInChI=1S/C19H24N4O.HI/c1-3-14-9-8-10-15(4-2)18(14)23-19(20)21-13-17(24)22-16-11-6-5-7-12-16;/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H3,20,21,23);1H
InChIKeyCJCYPSGHVURSMZ-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.79
Rot. Bonds6

About 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide

2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide (PubChem CID 111073638) has the molecular formula C19H25IN4O and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
PubChem CID111073638
Molecular FormulaC19H25IN4O
Molecular Weight452.34 g/mol
Exact Mass452.11
IUPAC Name2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESCCc1cccc(CC)c1N/C(N)=N/CC(=O)Nc1ccccc1.I
InChIInChI=1S/C19H24N4O.HI/c1-3-14-9-8-10-15(4-2)18(14)23-19(20)21-13-17(24)22-16-11-6-5-7-12-16;/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H3,20,21,23);1H
InChIKeyCJCYPSGHVURSMZ-UHFFFAOYSA-N
XLogP3.79
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034562
2-[[amino(anilino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 110917022
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
N-[4-[2-[[amino-(2,6-diethylanilino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111086226
1-(2,6-diethylphenyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912607
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-phenylacetamide
CID 111073649
2-[[amino(anilino)methylidene]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 119119654
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide (CID 111073638) is 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide is CCc1cccc(CC)c1N/C(N)=N/CC(=O)Nc1ccccc1.I.
What is the InChIKey of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The InChIKey is CJCYPSGHVURSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.HI/c1-3-14-9-8-10-15(4-2)18(14)23-19(20)21-13-17(24)22-16-11-6-5-7-12-16;/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H3,20,21,23);1H.
What are the key properties of 2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide?
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide has a molecular weight of 452.34 g/mol, XLogP of 3.79, 6 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-phenylacetamide;hydroiodide is sourced from PubChem (CID 111073638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).