2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide

C19H25IN4O — CID 111090960

IUPAC2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC(=O)NCCc2ccccc2)c1.I
InChIInChI=1S/C19H24N4O.HI/c1-2-15-9-6-10-17(13-15)23-19(20)22-14-18(24)21-12-11-16-7-4-3-5-8-16;/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyFPLVWYAUJMGXIC-UHFFFAOYSA-N
MW452.34 g/mol
LogP2.95
Rot. Bonds7

About 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide

2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide (PubChem CID 111090960) has the molecular formula C19H25IN4O and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
PubChem CID111090960
Molecular FormulaC19H25IN4O
Molecular Weight452.34 g/mol
Exact Mass452.11
IUPAC Name2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CC(=O)NCCc2ccccc2)c1.I
InChIInChI=1S/C19H24N4O.HI/c1-2-15-9-6-10-17(13-15)23-19(20)22-14-18(24)21-12-11-16-7-4-3-5-8-16;/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H3,20,22,23);1H
InChIKeyFPLVWYAUJMGXIC-UHFFFAOYSA-N
XLogP2.95
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 52.95
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-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090978
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111089416
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110930350
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090959
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073638
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide (CID 111090960) is 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide is CCc1cccc(N/C(N)=N/CC(=O)NCCc2ccccc2)c1.I.
What is the InChIKey of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide?
The InChIKey is FPLVWYAUJMGXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.HI/c1-2-15-9-6-10-17(13-15)23-19(20)22-14-18(24)21-12-11-16-7-4-3-5-8-16;/h3-10,13H,2,11-12,14H2,1H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide?
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide has a molecular weight of 452.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide is sourced from PubChem (CID 111090960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).