bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium

C32H48Cl2N4O2Pd — CID 11433968

IUPACbis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
SMILESCCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.Cl[Pd]Cl
InChIInChI=1S/2C16H24N2O.2ClH.Pd/c2*1-5-6-12-17-14(13-10-8-7-9-11-13)18-15(19)16(2,3)4;;;/h2*7-11H,5-6,12H2,1-4H3,(H,17,18,19);2*1H;/q;;;;+2/p-2
InChIKeyVXGZPGMEKNBYTB-UHFFFAOYSA-L
MW698.09 g/mol
LogP8.17
Rot. Bonds8

About bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium

bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium (PubChem CID 11433968) has the molecular formula C32H48Cl2N4O2Pd and a molecular weight of 698.09 g/mol. Its IUPAC name is bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium.

Molecular Properties

Compound Namebis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
PubChem CID11433968
Molecular FormulaC32H48Cl2N4O2Pd
Molecular Weight698.09 g/mol
Exact Mass696.22
IUPAC Namebis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium
SMILESCCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.Cl[Pd]Cl
InChIInChI=1S/2C16H24N2O.2ClH.Pd/c2*1-5-6-12-17-14(13-10-8-7-9-11-13)18-15(19)16(2,3)4;;;/h2*7-11H,5-6,12H2,1-4H3,(H,17,18,19);2*1H;/q;;;;+2/p-2
InChIKeyVXGZPGMEKNBYTB-UHFFFAOYSA-L
XLogP8.17
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.09
LogP ≤ 58.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[N-[3-[[(2,2-dimethylpropanoylamino)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-2,2-dimethylpropanamide
CID 53483743
bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride
CID 173182151
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N-(N-tert-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide
CID 11118811
N-[[(hydroxyamino)-phenylmethylidene]carbamothioyl]-2,2-dimethylpropanamide
CID 27060178
N-[N-(4-bromophenyl)-N'-butylcarbamimidoyl]benzamide
CID 139243346
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
N-hydroxy-N'-[3-[[(hydroxyamino)-phenylmethylidene]amino]propyl]benzenecarboximidamide
CID 15406489
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
ethyl N-butylbenzenecarboximidate
CID 19093178
N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide
CID 11438762
N-hexadecyl-1-phenylethanimine
CID 102417154

Frequently Asked Questions

What is the IUPAC name of bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium?
The IUPAC name of bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium (CID 11433968) is bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium.
What is the SMILES notation for bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium?
The canonical SMILES for bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium is CCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.Cl[Pd]Cl.
What is the InChIKey of bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium?
The InChIKey is VXGZPGMEKNBYTB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H24N2O.2ClH.Pd/c2*1-5-6-12-17-14(13-10-8-7-9-11-13)18-15(19)16(2,3)4;;;/h2*7-11H,5-6,12H2,1-4H3,(H,17,18,19);2*1H;/q;;;;+2/p-2.
What are the key properties of bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium?
bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium has a molecular weight of 698.09 g/mol, XLogP of 8.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(N-butyl-C-phenylcarbonimidoyl)-2,2-dimethylpropanamide);dichloropalladium is sourced from PubChem (CID 11433968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).