2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C14H25IN4O2 — CID 111158100

IUPAC2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(=O)NCc1ccco1.I
InChIInChI=1S/C14H24N4O2.HI/c1-4-5-8-18(3)14(15-2)17-11-13(19)16-10-12-7-6-9-20-12;/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyFAFWPIGILBGKRS-UHFFFAOYSA-N
MW408.28 g/mol
LogP1.82
Rot. Bonds7

About 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111158100) has the molecular formula C14H25IN4O2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111158100
Molecular FormulaC14H25IN4O2
Molecular Weight408.28 g/mol
Exact Mass408.10
IUPAC Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(=O)NCc1ccco1.I
InChIInChI=1S/C14H24N4O2.HI/c1-4-5-8-18(3)14(15-2)17-11-13(19)16-10-12-7-6-9-20-12;/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyFAFWPIGILBGKRS-UHFFFAOYSA-N
XLogP1.82
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 51.82
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

N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 111158585
3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111158272
2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111307329
2-[[N,N'-dimethyl-N-[(4-methylsulfanylphenyl)methyl]carbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111299214
2-[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111294798
N-(furan-2-ylmethyl)-2-[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide
CID 111281997
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111158721
N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195464
2-[[N-(furan-2-ylmethyl)-N,N'-dimethylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119132289
2-[butyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60689402
1-N-butyl-2-N-(furan-2-ylmethyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134850
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]acetamide
CID 110982703

Frequently Asked Questions

What is the IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111158100) is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCCCN(C)/C(=N\C)NCC(=O)NCc1ccco1.I.
What is the InChIKey of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is FAFWPIGILBGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.HI/c1-4-5-8-18(3)14(15-2)17-11-13(19)16-10-12-7-6-9-20-12;/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,15,17)(H,16,19);1H.
What are the key properties of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 408.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111158100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).