2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide

C19H33FIN5O2 — CID 111650941

IUPAC2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
SMILESC/N=C(\NCCN(C)CCCOC)NCC(Cc1ccc(F)cc1)C(N)=O.I
InChIInChI=1S/C19H32FN5O2.HI/c1-22-19(23-9-11-25(2)10-4-12-27-3)24-14-16(18(21)26)13-15-5-7-17(20)8-6-15;/h5-8,16H,4,9-14H2,1-3H3,(H2,21,26)(H2,22,23,24);1H
InChIKeyIMEZVTKFWMWUDT-UHFFFAOYSA-N
MW509.41 g/mol
LogP1.22
Rot. Bonds12

About 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide

2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide (PubChem CID 111650941) has the molecular formula C19H33FIN5O2 and a molecular weight of 509.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
PubChem CID111650941
Molecular FormulaC19H33FIN5O2
Molecular Weight509.41 g/mol
Exact Mass509.17
IUPAC Name2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
SMILESC/N=C(\NCCN(C)CCCOC)NCC(Cc1ccc(F)cc1)C(N)=O.I
InChIInChI=1S/C19H32FN5O2.HI/c1-22-19(23-9-11-25(2)10-4-12-27-3)24-14-16(18(21)26)13-15-5-7-17(20)8-6-15;/h5-8,16H,4,9-14H2,1-3H3,(H2,21,26)(H2,22,23,24);1H
InChIKeyIMEZVTKFWMWUDT-UHFFFAOYSA-N
XLogP1.22
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;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

2-(4-fluorophenyl)-N-[2-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111652307
1-[(4-fluorophenyl)methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111650895
1-[2-(4-fluorophenyl)ethyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111228804
methyl 4-[2-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111650355
ethyl 4-[[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111650977
2-[[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111677762
2-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111868264
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652249
2-[[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111562585
1-[[4-(methoxymethyl)phenyl]methyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652377
2-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 110998098
2-[(4-fluorophenyl)methyl]-3-[[N'-methyl-N-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111642466

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide (CID 111650941) is 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide is C/N=C(\NCCN(C)CCCOC)NCC(Cc1ccc(F)cc1)C(N)=O.I.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide?
The InChIKey is IMEZVTKFWMWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN5O2.HI/c1-22-19(23-9-11-25(2)10-4-12-27-3)24-14-16(18(21)26)13-15-5-7-17(20)8-6-15;/h5-8,16H,4,9-14H2,1-3H3,(H2,21,26)(H2,22,23,24);1H.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide?
2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide has a molecular weight of 509.41 g/mol, XLogP of 1.22, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide is sourced from PubChem (CID 111650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).