methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate

C18H18N2O2Se — CID 24755072

IUPACmethyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1ccc(C)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2Se/c1-12-4-8-14(9-5-12)16(21)19-18(23-3)20-17(22)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,19,20,21,22)
InChIKeyWGHVGLBVCOYWRW-UHFFFAOYSA-N
MW373.31 g/mol
LogP2.98
Rot. Bonds3

About methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate

methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate (PubChem CID 24755072) has the molecular formula C18H18N2O2Se and a molecular weight of 373.31 g/mol. Its IUPAC name is methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate.

Molecular Properties

Compound Namemethyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate
PubChem CID24755072
Molecular FormulaC18H18N2O2Se
Molecular Weight373.31 g/mol
Exact Mass374.05
IUPAC Namemethyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate
SMILESC[Se]/C(=N\C(=O)c1ccc(C)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O2Se/c1-12-4-8-14(9-5-12)16(21)19-18(23-3)20-17(22)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,19,20,21,22)
InChIKeyWGHVGLBVCOYWRW-UHFFFAOYSA-N
XLogP2.98
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate?
The IUPAC name of methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate (CID 24755072) is methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate.
What is the SMILES notation for methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate?
The canonical SMILES for methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate is C[Se]/C(=N\C(=O)c1ccc(C)cc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate?
The InChIKey is WGHVGLBVCOYWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2Se/c1-12-4-8-14(9-5-12)16(21)19-18(23-3)20-17(22)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,19,20,21,22).
What are the key properties of methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate?
methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate has a molecular weight of 373.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N'-bis(4-methylbenzoyl)carbamimidoselenoate is sourced from PubChem (CID 24755072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).