2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C19H31IN4O2 — CID 111365696

IUPAC2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C19H30N4O2.HI/c1-14(2)12-21-19(22-13-18(24)23(4)5)20-10-9-16-11-15(3)7-8-17(16)25-6;/h7-8,11H,1,9-10,12-13H2,2-6H3,(H2,20,21,22);1H
InChIKeyAUYRFFONPFRIFE-UHFFFAOYSA-N
MW474.39 g/mol
LogP2.36
Rot. Bonds8

About 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111365696) has the molecular formula C19H31IN4O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111365696
Molecular FormulaC19H31IN4O2
Molecular Weight474.39 g/mol
Exact Mass474.15
IUPAC Name2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C19H30N4O2.HI/c1-14(2)12-21-19(22-13-18(24)23(4)5)20-10-9-16-11-15(3)7-8-17(16)25-6;/h7-8,11H,1,9-10,12-13H2,2-6H3,(H2,20,21,22);1H
InChIKeyAUYRFFONPFRIFE-UHFFFAOYSA-N
XLogP2.36
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 52.36
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907516
2-[[N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046474
2-[[(2-bicyclo[2.2.1]heptanylamino)-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111842495
3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylpropanamide
CID 71875751
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034980
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111389462
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874
N,N-dimethyl-2-[[[2-(4-methylphenyl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 111622652
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111796857
2-[[[2-(1H-indol-2-yl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035393
N-ethyl-4-[[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111389672

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111365696) is 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCCc1cc(C)ccc1OC.I.
What is the InChIKey of 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is AUYRFFONPFRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.HI/c1-14(2)12-21-19(22-13-18(24)23(4)5)20-10-9-16-11-15(3)7-8-17(16)25-6;/h7-8,11H,1,9-10,12-13H2,2-6H3,(H2,20,21,22);1H.
What are the key properties of 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 474.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-methoxy-5-methylphenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111365696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).