2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide

C17H28FIN4O2 — CID 111678855

IUPAC2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C)Oc1ccc(F)cc1.I
InChIInChI=1S/C17H27FN4O2.HI/c1-4-10-20-16(23)12-22-17(19-5-2)21-11-13(3)24-15-8-6-14(18)7-9-15;/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H2,19,21,22);1H
InChIKeyTUZWYZGENIWNOV-UHFFFAOYSA-N
MW466.34 g/mol
LogP2.29
Rot. Bonds9

About 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide

2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide (PubChem CID 111678855) has the molecular formula C17H28FIN4O2 and a molecular weight of 466.34 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
PubChem CID111678855
Molecular FormulaC17H28FIN4O2
Molecular Weight466.34 g/mol
Exact Mass466.12
IUPAC Name2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)C/N=C(\NCC)NCC(C)Oc1ccc(F)cc1.I
InChIInChI=1S/C17H27FN4O2.HI/c1-4-10-20-16(23)12-22-17(19-5-2)21-11-13(3)24-15-8-6-14(18)7-9-15;/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H2,19,21,22);1H
InChIKeyTUZWYZGENIWNOV-UHFFFAOYSA-N
XLogP2.29
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
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

2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
2-[[[2-(4-fluorophenoxy)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111980066
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111678331
2-[[ethylamino-[2-(3-methylphenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111686147
N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine
CID 111497477
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111684646
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
2-[[[2-(4-fluorophenoxy)propylamino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111544979
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111683132
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111684486

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide (CID 111678855) is 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide is CCCNC(=O)C/N=C(\NCC)NCC(C)Oc1ccc(F)cc1.I.
What is the InChIKey of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
The InChIKey is TUZWYZGENIWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O2.HI/c1-4-10-20-16(23)12-22-17(19-5-2)21-11-13(3)24-15-8-6-14(18)7-9-15;/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)(H2,19,21,22);1H.
What are the key properties of 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide?
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide has a molecular weight of 466.34 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111678855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).