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

C16H26N4O — CID 111158585

IUPACN-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESCCCCN(C)/C(=N\C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N4O/c1-4-5-11-20(3)16(17-2)19-13-15(21)18-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyXEVQGOXEOACYJX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.61
Rot. Bonds7

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

N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide (PubChem CID 111158585) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
PubChem CID111158585
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
SMILESCCCCN(C)/C(=N\C)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N4O/c1-4-5-11-20(3)16(17-2)19-13-15(21)18-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyXEVQGOXEOACYJX-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111157994
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111158100
N-benzyl-2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111158586
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide
CID 111159950
3-[2-[benzyl(methyl)amino]ethyl]-1-butyl-1,2-dimethylguanidine
CID 111158859
N-benzyl-2-[[N-[(4-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]acetamide
CID 111272293
4-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111158090
3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111159528
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
CID 111160046
2-[(N'-benzyl-N-butyl-N-methylcarbamimidoyl)amino]-N,N-dimethylacetamide
CID 111159495
3-[(1-benzylpyrazol-4-yl)methyl]-1-butyl-1,2-dimethylguanidine;hydroiodide
CID 111160436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide (CID 111158585) is N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide is CCCCN(C)/C(=N\C)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
The InChIKey is XEVQGOXEOACYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-11-20(3)16(17-2)19-13-15(21)18-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide?
N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 111158585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).