N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide

C17H32N4O — CID 109454236

IUPACN-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H32N4O/c1-16(2)12-21(17(16,3)4)15(18-5)19-11-14(22)20-13-9-7-6-8-10-13/h13H,6-12H2,1-5H3,(H,18,19)(H,20,22)
InChIKeyGVDQOVQKIKJJFG-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.13
Rot. Bonds3

About N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide

N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (PubChem CID 109454236) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
PubChem CID109454236
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H32N4O/c1-16(2)12-21(17(16,3)4)15(18-5)19-11-14(22)20-13-9-7-6-8-10-13/h13H,6-12H2,1-5H3,(H,18,19)(H,20,22)
InChIKeyGVDQOVQKIKJJFG-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.13
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

N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109454235
N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453668
N-cyclopropyl-2-[3-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109452668
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
CID 119115989
N-cyclohexyl-2-[(1-methylcyclopropyl)methylamino]acetamide
CID 107166293
N-cyclohexyl-2-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109436435
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
N-cyclohexyl-3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111154151
N-cyclohexyl-2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]acetamide
CID 110984132
N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109453680
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (CID 109454236) is N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC1CCCCC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The InChIKey is GVDQOVQKIKJJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-16(2)12-21(17(16,3)4)15(18-5)19-11-14(22)20-13-9-7-6-8-10-13/h13H,6-12H2,1-5H3,(H,18,19)(H,20,22).
What are the key properties of N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide has a molecular weight of 308.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109454236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).