4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide

C20H27IN4O2 — CID 111048251

IUPAC4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
SMILESCCN(CC)C(=O)c1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1.I
InChIInChI=1S/C20H26N4O2.HI/c1-4-24(5-2)19(25)16-8-6-15(7-9-16)14-22-20(21)23-17-10-12-18(26-3)13-11-17;/h6-13H,4-5,14H2,1-3H3,(H3,21,22,23);1H
InChIKeyMUJQCNZEBRXWKZ-UHFFFAOYSA-N
MW482.37 g/mol
LogP3.72
Rot. Bonds7

About 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide

4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide (PubChem CID 111048251) has the molecular formula C20H27IN4O2 and a molecular weight of 482.37 g/mol. Its IUPAC name is 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
PubChem CID111048251
Molecular FormulaC20H27IN4O2
Molecular Weight482.37 g/mol
Exact Mass482.12
IUPAC Name4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
SMILESCCN(CC)C(=O)c1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1.I
InChIInChI=1S/C20H26N4O2.HI/c1-4-24(5-2)19(25)16-8-6-15(7-9-16)14-22-20(21)23-17-10-12-18(26-3)13-11-17;/h6-13H,4-5,14H2,1-3H3,(H3,21,22,23);1H
InChIKeyMUJQCNZEBRXWKZ-UHFFFAOYSA-N
XLogP3.72
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.37
LogP ≤ 53.72
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

4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N,N-diethylbenzamide
CID 111048294
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
1-(4-methoxyphenyl)-2-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111079836
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111095695

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide (CID 111048251) is 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide is CCN(CC)C(=O)c1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1.I.
What is the InChIKey of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide?
The InChIKey is MUJQCNZEBRXWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.HI/c1-4-24(5-2)19(25)16-8-6-15(7-9-16)14-22-20(21)23-17-10-12-18(26-3)13-11-17;/h6-13H,4-5,14H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide?
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide has a molecular weight of 482.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide is sourced from PubChem (CID 111048251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).