4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

C24H35IN4O — CID 111874832

IUPAC4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccccc1C.I
InChIInChI=1S/C24H34N4O.HI/c1-7-25-23(27-17-24(3,4)21-11-9-8-10-18(21)2)26-16-19-12-14-20(15-13-19)22(29)28(5)6;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H
InChIKeyCGFOIBDFSZXGQG-UHFFFAOYSA-N
MW522.48 g/mol
LogP4.35
Rot. Bonds7

About 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111874832) has the molecular formula C24H35IN4O and a molecular weight of 522.48 g/mol. Its IUPAC name is 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111874832
Molecular FormulaC24H35IN4O
Molecular Weight522.48 g/mol
Exact Mass522.19
IUPAC Name4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccccc1C.I
InChIInChI=1S/C24H34N4O.HI/c1-7-25-23(27-17-24(3,4)21-11-9-8-10-18(21)2)26-16-19-12-14-20(15-13-19)22(29)28(5)6;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H
InChIKeyCGFOIBDFSZXGQG-UHFFFAOYSA-N
XLogP4.35
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
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

N,N-dimethyl-4-[[[N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111872884
N,N-dimethyl-4-[[[N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]carbamimidoyl]amino]methyl]benzamide
CID 111872885
4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875138
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387
4-[[[ethylamino-[[2-(ethylamino)-2-oxoethyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873406
4-[[[[2-(2,2-dimethylpropanoylamino)ethylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111873427
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648
4-[[[ethylamino-[[2-(methoxymethyl)phenyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874508
4-[[[ethylamino-[[2-(methoxymethyl)phenyl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111874509
4-[[[[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874086
4-[[[[(2,5-dimethylfuran-3-yl)methylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111580568
4-[[[[[2-(dimethylsulfamoyl)phenyl]methylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111873376

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 111874832) is 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is CCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccccc1C.I.
What is the InChIKey of 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is CGFOIBDFSZXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O.HI/c1-7-25-23(27-17-24(3,4)21-11-9-8-10-18(21)2)26-16-19-12-14-20(15-13-19)22(29)28(5)6;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H.
What are the key properties of 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 522.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111874832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).