N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide

C16H24N4O2 — CID 8005695

IUPACN-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide
SMILESCN1C(=O)C(C#N)/C(=N\CC(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C16H24N4O2/c1-15(2,3)19-12(21)10-18-13-11(9-17)14(22)20(4)16(13)7-5-6-8-16/h11H,5-8,10H2,1-4H3,(H,19,21)/b18-13+
InChIKeyPILGLTGXNFLLIH-QGOAFFKASA-N
MW304.39 g/mol
LogP1.27
Rot. Bonds2

About N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide

N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide (PubChem CID 8005695) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide
PubChem CID8005695
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide
SMILESCN1C(=O)C(C#N)/C(=N\CC(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C16H24N4O2/c1-15(2,3)19-12(21)10-18-13-11(9-17)14(22)20(4)16(13)7-5-6-8-16/h11H,5-8,10H2,1-4H3,(H,19,21)/b18-13+
InChIKeyPILGLTGXNFLLIH-QGOAFFKASA-N
XLogP1.27
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide (CID 8005695) is N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide is CN1C(=O)C(C#N)/C(=N\CC(=O)NC(C)(C)C)C12CCCC2.
What is the InChIKey of N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide?
The InChIKey is PILGLTGXNFLLIH-QGOAFFKASA-N. The full InChI is InChI=1S/C16H24N4O2/c1-15(2,3)19-12(21)10-18-13-11(9-17)14(22)20(4)16(13)7-5-6-8-16/h11H,5-8,10H2,1-4H3,(H,19,21)/b18-13+.
What are the key properties of N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide?
N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-cyano-1-methyl-2-oxo-1-azaspiro[4.4]nonan-4-ylidene)amino]acetamide is sourced from PubChem (CID 8005695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).