N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide

C14H28N2O — CID 88860402

IUPACN-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(\NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h1-9H3,(H,15,16,17)
InChIKeyKKUCRLILBZGQQR-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.39
Rot. Bonds

About N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide

N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide (PubChem CID 88860402) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide
PubChem CID88860402
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(\NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h1-9H3,(H,15,16,17)
InChIKeyKKUCRLILBZGQQR-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide (CID 88860402) is N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide is CC(C)(C)/N=C(\NC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The InChIKey is KKUCRLILBZGQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2,3)10(16-14(7,8)9)15-11(17)13(4,5)6/h1-9H3,(H,15,16,17).
What are the key properties of N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide?
N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 88860402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).