2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

C11H19IN4O2 — CID 119114439

IUPAC2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)N(C)C)NCc1ccco1.I
InChIInChI=1S/C11H18N4O2.HI/c1-12-11(14-8-10(16)15(2)3)13-7-9-5-4-6-17-9;/h4-6H,7-8H2,1-3H3,(H2,12,13,14);1H
InChIKeyBGKTYAQSVFOYET-UHFFFAOYSA-N
MW366.20 g/mol
LogP0.65
Rot. Bonds4

About 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 119114439) has the molecular formula C11H19IN4O2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID119114439
Molecular FormulaC11H19IN4O2
Molecular Weight366.20 g/mol
Exact Mass366.06
IUPAC Name2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
SMILESC/N=C(\NCC(=O)N(C)C)NCc1ccco1.I
InChIInChI=1S/C11H18N4O2.HI/c1-12-11(14-8-10(16)15(2)3)13-7-9-5-4-6-17-9;/h4-6H,7-8H2,1-3H3,(H2,12,13,14);1H
InChIKeyBGKTYAQSVFOYET-UHFFFAOYSA-N
XLogP0.65
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 50.65
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'}

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Related Compounds

2-[[N-(furan-2-ylmethyl)-N'-[(4-nitrophenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544352
2-[[N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111130687
N-(4-fluorophenyl)-2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 110933584
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 110933659
2-[[N-[(5-bromothiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119132963
N,N-dimethyl-2-[[N'-methyl-N-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 119133035
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide
CID 110982703
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
CID 110934708
3-[2-[[N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668394
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
1-(furan-2-ylmethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465127

Frequently Asked Questions

What is the IUPAC name of 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide (CID 119114439) is 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is C/N=C(\NCC(=O)N(C)C)NCc1ccco1.I.
What is the InChIKey of 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is BGKTYAQSVFOYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.HI/c1-12-11(14-8-10(16)15(2)3)13-7-9-5-4-6-17-9;/h4-6H,7-8H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 366.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 119114439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).