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

C24H35IN4O2 — CID 111875138

IUPAC4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccc(OC)cc1.I
InChIInChI=1S/C24H34N4O2.HI/c1-7-25-23(26-16-18-8-10-19(11-9-18)22(29)28(4)5)27-17-24(2,3)20-12-14-21(30-6)15-13-20;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H
InChIKeyVHKWBEONKROYLT-UHFFFAOYSA-N
MW538.47 g/mol
LogP4.05
Rot. Bonds8

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

4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 111875138) has the molecular formula C24H35IN4O2 and a molecular weight of 538.47 g/mol. Its IUPAC name is 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID111875138
Molecular FormulaC24H35IN4O2
Molecular Weight538.47 g/mol
Exact Mass538.18
IUPAC Name4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccc(OC)cc1.I
InChIInChI=1S/C24H34N4O2.HI/c1-7-25-23(26-16-18-8-10-19(11-9-18)22(29)28(4)5)27-17-24(2,3)20-12-14-21(30-6)15-13-20;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H
InChIKeyVHKWBEONKROYLT-UHFFFAOYSA-N
XLogP4.05
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 54.05
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-[[[ethylamino-[[2-methyl-2-(2-methylphenyl)propyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874832
1-ethyl-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941112
4-[[[ethylamino-[2-(3-methoxyphenoxy)propylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111679221
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648
2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111182548
4-[[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111875387
2-[[ethylamino-[(2-methyl-2-phenylpropyl)amino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111948030
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
methyl 3-[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111875112
1-ethyl-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969157
tert-butyl N-[3-[[N'-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate
CID 111873703

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 111875138) is 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is CCN/C(=N\Cc1ccc(C(=O)N(C)C)cc1)NCC(C)(C)c1ccc(OC)cc1.I.
What is the InChIKey of 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is VHKWBEONKROYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2.HI/c1-7-25-23(26-16-18-8-10-19(11-9-18)22(29)28(4)5)27-17-24(2,3)20-12-14-21(30-6)15-13-20;/h8-15H,7,16-17H2,1-6H3,(H2,25,26,27);1H.
What are the key properties of 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 538.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 111875138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).