2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide

C13H25N3O2 — CID 22598524

IUPAC2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(OC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2,3)16(18-12(4,5)9-14)13(6,7)10(17)15-8/h1-8H3,(H,15,17)
InChIKeyGBVIMKSTWPUQPX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.85
Rot. Bonds4

About 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide

2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide (PubChem CID 22598524) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide
PubChem CID22598524
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)N(OC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-11(2,3)16(18-12(4,5)9-14)13(6,7)10(17)15-8/h1-8H3,(H,15,17)
InChIKeyGBVIMKSTWPUQPX-UHFFFAOYSA-N
XLogP1.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide?
The IUPAC name of 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide (CID 22598524) is 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)N(OC(C)(C)C#N)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide?
The InChIKey is GBVIMKSTWPUQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2,3)16(18-12(4,5)9-14)13(6,7)10(17)15-8/h1-8H3,(H,15,17).
What are the key properties of 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide?
2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-cyanopropan-2-yloxy)amino]-N,2-dimethylpropanamide is sourced from PubChem (CID 22598524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).