3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide

C18H29Cl2IN4O2 — CID 109492719

IUPAC3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
SMILESCCNC(=O)C(C)(C)C/N=C(\NCC)NCC(O)c1cc(Cl)cc(Cl)c1.I
InChIInChI=1S/C18H28Cl2N4O2.HI/c1-5-21-16(26)18(3,4)11-24-17(22-6-2)23-10-15(25)12-7-13(19)9-14(20)8-12;/h7-9,15,25H,5-6,10-11H2,1-4H3,(H,21,26)(H2,22,23,24);1H
InChIKeyJKRYXMDVBFQIDF-UHFFFAOYSA-N
MW531.27 g/mol
LogP3.36
Rot. Bonds8

About 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide

3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109492719) has the molecular formula C18H29Cl2IN4O2 and a molecular weight of 531.27 g/mol. Its IUPAC name is 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
PubChem CID109492719
Molecular FormulaC18H29Cl2IN4O2
Molecular Weight531.27 g/mol
Exact Mass530.07
IUPAC Name3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
SMILESCCNC(=O)C(C)(C)C/N=C(\NCC)NCC(O)c1cc(Cl)cc(Cl)c1.I
InChIInChI=1S/C18H28Cl2N4O2.HI/c1-5-21-16(26)18(3,4)11-24-17(22-6-2)23-10-15(25)12-7-13(19)9-14(20)8-12;/h7-9,15,25H,5-6,10-11H2,1-4H3,(H,21,26)(H2,22,23,24);1H
InChIKeyJKRYXMDVBFQIDF-UHFFFAOYSA-N
XLogP3.36
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.27
LogP ≤ 53.36
H-Bond Donors ≤ 54
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 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;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

3-[[[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide
CID 109495485
4-[[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide
CID 109492724
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-ethylguanidine;hydroiodide
CID 109492627
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 109492218
5-[[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]methyl]furan-2-carboxamide
CID 109492710
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109492649
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 109492429
1-(2-tert-butylsulfinylethyl)-2-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109492368
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109492614
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111986004
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 109492667
N-ethyl-3-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 109476115

Frequently Asked Questions

What is the IUPAC name of 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide (CID 109492719) is 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide is CCNC(=O)C(C)(C)C/N=C(\NCC)NCC(O)c1cc(Cl)cc(Cl)c1.I.
What is the InChIKey of 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is JKRYXMDVBFQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2N4O2.HI/c1-5-21-16(26)18(3,4)11-24-17(22-6-2)23-10-15(25)12-7-13(19)9-14(20)8-12;/h7-9,15,25H,5-6,10-11H2,1-4H3,(H,21,26)(H2,22,23,24);1H.
What are the key properties of 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 531.27 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109492719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).