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

C15H30N4O — CID 109451887

IUPACN-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H30N4O/c1-13(2,3)18-11(20)9-17-12(16-8)19-10-14(4,5)15(19,6)7/h9-10H2,1-8H3,(H,16,17)(H,18,20)
InChIKeyQPCHAFRPASSALZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.60
Rot. Bonds2

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

N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (PubChem CID 109451887) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
PubChem CID109451887
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC(C)(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H30N4O/c1-13(2,3)18-11(20)9-17-12(16-8)19-10-14(4,5)15(19,6)7/h9-10H2,1-8H3,(H,16,17)(H,18,20)
InChIKeyQPCHAFRPASSALZ-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.60
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
CID 109454236
N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109454235
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284
N-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915
tert-butyl N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 109453890
N-tert-butyl-3-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109453905
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
N-(3-fluorophenyl)-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109453679
methyl 4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzoate;hydroiodide
CID 109451908
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide (CID 109451887) is N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC(C)(C)C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
The InChIKey is QPCHAFRPASSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13(2,3)18-11(20)9-17-12(16-8)19-10-14(4,5)15(19,6)7/h9-10H2,1-8H3,(H,16,17)(H,18,20).
What are the key properties of N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide?
N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109451887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).