N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide

C17H26FIN4O2 — CID 111684649

IUPACN-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccccc1F.I
InChIInChI=1S/C17H25FN4O2.HI/c1-3-19-17(21-11-16(23)22-13-8-9-13)20-10-12(2)24-15-7-5-4-6-14(15)18;/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H2,19,20,21);1H
InChIKeyRHIIPFGETZAUIX-UHFFFAOYSA-N
MW464.32 g/mol
LogP2.04
Rot. Bonds8

About N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide

N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide (PubChem CID 111684649) has the molecular formula C17H26FIN4O2 and a molecular weight of 464.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
PubChem CID111684649
Molecular FormulaC17H26FIN4O2
Molecular Weight464.32 g/mol
Exact Mass464.11
IUPAC NameN-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccccc1F.I
InChIInChI=1S/C17H25FN4O2.HI/c1-3-19-17(21-11-16(23)22-13-8-9-13)20-10-12(2)24-15-7-5-4-6-14(15)18;/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H2,19,20,21);1H
InChIKeyRHIIPFGETZAUIX-UHFFFAOYSA-N
XLogP2.04
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 52.04
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'}

Analyze N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;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

N-cyclopropyl-2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]acetamide
CID 111678470
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111684486
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-[[(cyclohexylamino)-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111502471
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111678331
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111684515
N-(1,1-dioxothiolan-3-yl)-3-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111684377
N-ethyl-2-[[ethylamino-[2-(3-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111681213
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110949777
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855
4-[[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111684690

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide (CID 111684649) is N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide is CCN/C(=N\CC(=O)NC1CC1)NCC(C)Oc1ccccc1F.I.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide?
The InChIKey is RHIIPFGETZAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2.HI/c1-3-19-17(21-11-16(23)22-13-8-9-13)20-10-12(2)24-15-7-5-4-6-14(15)18;/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H2,19,20,21);1H.
What are the key properties of N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide?
N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide has a molecular weight of 464.32 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide is sourced from PubChem (CID 111684649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).