N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide

C17H32N4O2 — CID 110043137

IUPACN,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCO1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H32N4O2/c1-16(2)12-21(17(16,3)4)15(19-11-14(22)20(5)6)18-10-13-8-7-9-23-13/h13H,7-12H2,1-6H3,(H,18,19)
InChIKeyKXDLIUIUDWOTGA-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.32
Rot. Bonds4

About N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide (PubChem CID 110043137) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
PubChem CID110043137
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCO1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C17H32N4O2/c1-16(2)12-21(17(16,3)4)15(19-11-14(22)20(5)6)18-10-13-8-7-9-23-13/h13H,7-12H2,1-6H3,(H,18,19)
InChIKeyKXDLIUIUDWOTGA-UHFFFAOYSA-N
XLogP1.32
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide with MolForge

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Related Compounds

2-[[2-azaspiro[4.5]decan-2-yl-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041968
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-pyrrolidin-1-ylmethylidene]amino]acetamide;hydroiodide
CID 111546444
ethyl 4-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111539222
N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide
CID 109453799
2-[[(3,4-dimethylpiperidin-1-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049451
N,N-dimethyl-2-[[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 110048002
N,N-dimethyl-2-[[(prop-2-enylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
CID 110043135
N,N-dimethyl-2-[[[4-(2-methylpropyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111650247
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110040694
2-[[(2-ethylthiomorpholin-4-yl)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043767
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide
CID 111493472
2-[[[3-(diethylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042172

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide (CID 110043137) is N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCC1CCCO1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
The InChIKey is KXDLIUIUDWOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-16(2)12-21(17(16,3)4)15(19-11-14(22)20(5)6)18-10-13-8-7-9-23-13/h13H,7-12H2,1-6H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide has a molecular weight of 324.47 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 110043137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).