N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide

C14H28N2O — CID 53349377

IUPACN-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCCCC/N=C(\NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-8-9-10-15-11(13(2,3)4)16-12(17)14(5,6)7/h8-10H2,1-7H3,(H,15,16,17)
InChIKeyOQMIXGYDUIVBSW-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.39
Rot. Bonds3

About N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide

N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide (PubChem CID 53349377) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide
PubChem CID53349377
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCCCC/N=C(\NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-8-9-10-15-11(13(2,3)4)16-12(17)14(5,6)7/h8-10H2,1-7H3,(H,15,16,17)
InChIKeyOQMIXGYDUIVBSW-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765868
2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765878
N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
N-(C,N-ditert-butylcarbonimidoyl)-2,2-dimethylpropanamide
CID 88860402
N-[N-methyl-C-(2-methylbutan-2-yl)carbonimidoyl]acetamide
CID 142150051
N-(C-butyl-N-ethylcarbonimidoyl)propanamide
CID 163472578
N-(N-ethyl-C-methylcarbonimidoyl)butanamide
CID 131230384
N-(2,2-Dimethylpropanimidoyl)-2,2-dimethylpropanamide
CID 165355537

Frequently Asked Questions

What is the IUPAC name of N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide (CID 53349377) is N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide is CCCC/N=C(\NC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide?
The InChIKey is OQMIXGYDUIVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-8-9-10-15-11(13(2,3)4)16-12(17)14(5,6)7/h8-10H2,1-7H3,(H,15,16,17).
What are the key properties of N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide?
N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 53349377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).