2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide

C19H25IN4O2 — CID 111081982

IUPAC2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C19H24N4O2.HI/c1-3-23(14-15-9-5-4-6-10-15)18(24)13-21-19(20)22-16-11-7-8-12-17(16)25-2;/h4-12H,3,13-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyYOJAGAMATSMNGQ-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.09
Rot. Bonds7

About 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide

2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide (PubChem CID 111081982) has the molecular formula C19H25IN4O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
PubChem CID111081982
Molecular FormulaC19H25IN4O2
Molecular Weight468.34 g/mol
Exact Mass468.10
IUPAC Name2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)Nc1ccccc1OC.I
InChIInChI=1S/C19H24N4O2.HI/c1-3-23(14-15-9-5-4-6-10-15)18(24)13-21-19(20)22-16-11-7-8-12-17(16)25-2;/h4-12H,3,13-14H2,1-2H3,(H3,20,21,22);1H
InChIKeyYOJAGAMATSMNGQ-UHFFFAOYSA-N
XLogP3.09
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[benzyl(methyl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034994
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
N-benzyl-N-ethyl-2-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111338904
2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide (CID 111081982) is 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide is CCN(Cc1ccccc1)C(=O)C/N=C(\N)Nc1ccccc1OC.I.
What is the InChIKey of 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The InChIKey is YOJAGAMATSMNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.HI/c1-3-23(14-15-9-5-4-6-10-15)18(24)13-21-19(20)22-16-11-7-8-12-17(16)25-2;/h4-12H,3,13-14H2,1-2H3,(H3,20,21,22);1H.
What are the key properties of 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide has a molecular weight of 468.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111081982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).