2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide

C12H26N4O2 — CID 111160046

IUPAC2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCCCN(C)/C(=N/C)NCC(=O)NCCOC
InChIInChI=1S/C12H26N4O2/c1-5-6-8-16(3)12(13-2)15-10-11(17)14-7-9-18-4/h5-10H2,1-4H3,(H,13,15)(H,14,17)
InChIKeyYZBQAWHOXCHJMY-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.06
Rot. Bonds8

About 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide

2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111160046) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID111160046
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCCCCN(C)/C(=N/C)NCC(=O)NCCOC
InChIInChI=1S/C12H26N4O2/c1-5-6-8-16(3)12(13-2)15-10-11(17)14-7-9-18-4/h5-10H2,1-4H3,(H,13,15)(H,14,17)
InChIKeyYZBQAWHOXCHJMY-UHFFFAOYSA-N
XLogP0.06
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.06
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
CID 109483505
1-butyl-3-(5-methoxypentyl)-1,2-dimethylguanidine;hydroiodide
CID 111159574
N-tert-butyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
CID 111158394
N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 111158585
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
1-hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine
CID 109483197
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
2-[[N-[(3-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111305259
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
1-butyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111159173

Frequently Asked Questions

What is the IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide (CID 111160046) is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide is CCCCN(C)/C(=N/C)NCC(=O)NCCOC.
What is the InChIKey of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is YZBQAWHOXCHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-6-8-16(3)12(13-2)15-10-11(17)14-7-9-18-4/h5-10H2,1-4H3,(H,13,15)(H,14,17).
What are the key properties of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide?
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 0.06, 8 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-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111160046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).