2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide

C19H25IN4O2 — CID 111083886

IUPAC2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
SMILESCOc1ccc(CNC(=O)C/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-13-8-14(2)10-16(9-13)23-19(20)22-12-18(24)21-11-15-4-6-17(25-3)7-5-15;/h4-10H,11-12H2,1-3H3,(H,21,24)(H3,20,22,23);1H
InChIKeyATEJRYZHQWYPPS-UHFFFAOYSA-N
MW468.34 g/mol
LogP2.97
Rot. Bonds6

About 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide

2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide (PubChem CID 111083886) has the molecular formula C19H25IN4O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
PubChem CID111083886
Molecular FormulaC19H25IN4O2
Molecular Weight468.34 g/mol
Exact Mass468.10
IUPAC Name2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
SMILESCOc1ccc(CNC(=O)C/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-13-8-14(2)10-16(9-13)23-19(20)22-12-18(24)21-11-15-4-6-17(25-3)7-5-15;/h4-10H,11-12H2,1-3H3,(H,21,24)(H3,20,22,23);1H
InChIKeyATEJRYZHQWYPPS-UHFFFAOYSA-N
XLogP2.97
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
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'}

Analyze 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111599646
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055676
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117585
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
1-(3,5-dimethylphenyl)-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813357
1-(3,5-dimethylphenyl)-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111084512
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
CID 52689431
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
1-(3,5-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 111095707
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010
2-[[amino-(3-methylanilino)methylidene]amino]-N-(cyanomethyl)acetamide;hydroiodide
CID 120973958

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide (CID 111083886) is 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide is COc1ccc(CNC(=O)C/N=C(\N)Nc2cc(C)cc(C)c2)cc1.I.
What is the InChIKey of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
The InChIKey is ATEJRYZHQWYPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.HI/c1-13-8-14(2)10-16(9-13)23-19(20)22-12-18(24)21-11-15-4-6-17(25-3)7-5-15;/h4-10H,11-12H2,1-3H3,(H,21,24)(H3,20,22,23);1H.
What are the key properties of 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide?
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide has a molecular weight of 468.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide is sourced from PubChem (CID 111083886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).