bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride

C30H44Cl2N4O2Pd — CID 173182151

IUPACbis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride
SMILESCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C15H22N2O.2ClH.Pd/c2*1-5-11-16-13(12-9-7-6-8-10-12)17-14(18)15(2,3)4;;;/h2*6-10H,5,11H2,1-4H3,(H,16,17,18);2*1H;/q;;;;+2/p-2
InChIKeyNFWSTYCIZLZARN-UHFFFAOYSA-L
MW670.03 g/mol
LogP0.02
Rot. Bonds6

About bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride

bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride (PubChem CID 173182151) has the molecular formula C30H44Cl2N4O2Pd and a molecular weight of 670.03 g/mol. Its IUPAC name is bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride.

Molecular Properties

Compound Namebis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride
PubChem CID173182151
Molecular FormulaC30H44Cl2N4O2Pd
Molecular Weight670.03 g/mol
Exact Mass668.19
IUPAC Namebis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride
SMILESCCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C15H22N2O.2ClH.Pd/c2*1-5-11-16-13(12-9-7-6-8-10-12)17-14(18)15(2,3)4;;;/h2*6-10H,5,11H2,1-4H3,(H,16,17,18);2*1H;/q;;;;+2/p-2
InChIKeyNFWSTYCIZLZARN-UHFFFAOYSA-L
XLogP0.02
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.03
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride?
The IUPAC name of bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride (CID 173182151) is bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride.
What is the SMILES notation for bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride?
The canonical SMILES for bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride is CCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.CCC/N=C(\NC(=O)C(C)(C)C)c1ccccc1.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride?
The InChIKey is NFWSTYCIZLZARN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H22N2O.2ClH.Pd/c2*1-5-11-16-13(12-9-7-6-8-10-12)17-14(18)15(2,3)4;;;/h2*6-10H,5,11H2,1-4H3,(H,16,17,18);2*1H;/q;;;;+2/p-2.
What are the key properties of bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride?
bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride has a molecular weight of 670.03 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-N-(C-phenyl-N-propylcarbonimidoyl)propanamide);palladium(2+);dichloride is sourced from PubChem (CID 173182151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).