N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

C19H32FIN4O2 — CID 111999592

IUPACN-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCCC(CN/C(=N/C)NCCNC(=O)C(C)(C)C)Oc1ccccc1F.I
InChIInChI=1S/C19H31FN4O2.HI/c1-6-14(26-16-10-8-7-9-15(16)20)13-24-18(21-5)23-12-11-22-17(25)19(2,3)4;/h7-10,14H,6,11-13H2,1-5H3,(H,22,25)(H2,21,23,24);1H
InChIKeyDZWYNMZEECWEPO-UHFFFAOYSA-N
MW494.39 g/mol
LogP2.93
Rot. Bonds8

About N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide

N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111999592) has the molecular formula C19H32FIN4O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111999592
Molecular FormulaC19H32FIN4O2
Molecular Weight494.39 g/mol
Exact Mass494.16
IUPAC NameN-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESCCC(CN/C(=N/C)NCCNC(=O)C(C)(C)C)Oc1ccccc1F.I
InChIInChI=1S/C19H31FN4O2.HI/c1-6-14(26-16-10-8-7-9-15(16)20)13-24-18(21-5)23-12-11-22-17(25)19(2,3)4;/h7-10,14H,6,11-13H2,1-5H3,(H,22,25)(H2,21,23,24);1H
InChIKeyDZWYNMZEECWEPO-UHFFFAOYSA-N
XLogP2.93
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]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

N-[2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111685041
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-fluorophenoxy)butyl]-2-methylguanidine
CID 111968757
2-fluoro-N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109475813
N-[2-(2-fluorophenoxy)butyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111752920
1-[2-(2-fluorophenoxy)butyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111969030
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
N-[2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111683761
2-[[(3-ethoxypropylamino)-[2-(2-fluorophenoxy)butylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111968988
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494981
N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109475224
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (CID 111999592) is N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is CCC(CN/C(=N/C)NCCNC(=O)C(C)(C)C)Oc1ccccc1F.I.
What is the InChIKey of N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is DZWYNMZEECWEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2.HI/c1-6-14(26-16-10-8-7-9-15(16)20)13-24-18(21-5)23-12-11-22-17(25)19(2,3)4;/h7-10,14H,6,11-13H2,1-5H3,(H,22,25)(H2,21,23,24);1H.
What are the key properties of N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 494.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-[2-(2-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111999592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).