2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

C20H32N4O2 — CID 110036391

IUPAC2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCOCCC1(CN/C(=N/Cc2ccccc2)NCC(=O)N(C)C)CCC1
InChIInChI=1S/C20H32N4O2/c1-24(2)18(25)15-22-19(21-14-17-8-5-4-6-9-17)23-16-20(10-7-11-20)12-13-26-3/h4-6,8-9H,7,10-16H2,1-3H3,(H2,21,22,23)
InChIKeyREEIHYHETAQOQA-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.02
Rot. Bonds9

About 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 110036391) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
PubChem CID110036391
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCOCCC1(CN/C(=N/Cc2ccccc2)NCC(=O)N(C)C)CCC1
InChIInChI=1S/C20H32N4O2/c1-24(2)18(25)15-22-19(21-14-17-8-5-4-6-9-17)23-16-20(10-7-11-20)12-13-26-3/h4-6,8-9H,7,10-16H2,1-3H3,(H2,21,22,23)
InChIKeyREEIHYHETAQOQA-UHFFFAOYSA-N
XLogP2.02
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.02
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'}

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Related Compounds

2-[[N'-benzyl-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110035811
2-[[N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-[(4-sulfamoylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034976
1-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571058
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
3-[[[ethylamino-[[1-(2-methoxyethyl)cyclopentyl]methylamino]methylidene]amino]methyl]benzamide
CID 109451689
methyl 4-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]benzoate
CID 111162427
2-[[N'-benzyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110036595
2-[(N'-benzyl-N-tert-butylcarbamimidoyl)amino]-N,N-dimethylacetamide
CID 110966560
2-[[N-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111544501
methyl 4-[[[N'-benzyl-N-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]methyl]benzoate;hydroiodide
CID 111162426
2-[[N-ethyl-N'-[(4-phenoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111363870
2-[(N'-benzyl-N-tert-butylcarbamimidoyl)amino]-N,N-dimethylacetamide;hydroiodide
CID 110966559

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (CID 110036391) is 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is COCCC1(CN/C(=N/Cc2ccccc2)NCC(=O)N(C)C)CCC1.
What is the InChIKey of 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is REEIHYHETAQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-24(2)18(25)15-22-19(21-14-17-8-5-4-6-9-17)23-16-20(10-7-11-20)12-13-26-3/h4-6,8-9H,7,10-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 360.50 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-benzyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).