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

C16H24N2O — CID 11118811

IUPACN-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(/NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2,3)14(19)17-13(18-16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18,19)
InChIKeyOYAXMUCHZVRCNG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.39
Rot. Bonds1

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

N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide (PubChem CID 11118811) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide
PubChem CID11118811
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)/N=C(/NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-15(2,3)14(19)17-13(18-16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18,19)
InChIKeyOYAXMUCHZVRCNG-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
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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Related Compounds

phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
CID 23660943
N-[N-[3-[[(2,2-dimethylpropanoylamino)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-2,2-dimethylpropanamide
CID 53483743
N-[[(hydroxyamino)-phenylmethylidene]carbamothioyl]-2,2-dimethylpropanamide
CID 27060178
bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride
CID 173182151
bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
CID 11433968
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
N-tert-butyl-1,1-diphenylmethan(15N)imine
CID 170780662
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 2830707
Lithium benzoate, 99%
CID 57451198
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
N-(3,3-dimethyl-2-oxobutanoyl)benzamide
CID 132515762
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide (CID 11118811) is N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide is CC(C)(C)/N=C(/NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide?
The InChIKey is OYAXMUCHZVRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)14(19)17-13(18-16(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3,(H,17,18,19).
What are the key properties of N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide?
N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 11118811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).