5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide

C14H18N2O2Se — CID 11163149

IUPAC5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)[se]c12
InChIInChI=1S/C14H18N2O2Se/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17)
InChIKeyXYJKFNMDKDOXRV-UHFFFAOYSA-N
MW325.27 g/mol
LogP1.25
Rot. Bonds1

About 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide

5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide (PubChem CID 11163149) has the molecular formula C14H18N2O2Se and a molecular weight of 325.27 g/mol. Its IUPAC name is 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide
PubChem CID11163149
Molecular FormulaC14H18N2O2Se
Molecular Weight325.27 g/mol
Exact Mass326.05
IUPAC Name5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)[se]c12
InChIInChI=1S/C14H18N2O2Se/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17)
InChIKeyXYJKFNMDKDOXRV-UHFFFAOYSA-N
XLogP1.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide?
The IUPAC name of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide (CID 11163149) is 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide.
What is the SMILES notation for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide?
The canonical SMILES for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide is CNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)[se]c12.
What is the InChIKey of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide?
The InChIKey is XYJKFNMDKDOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2Se/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17).
What are the key properties of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide?
5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide has a molecular weight of 325.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide is sourced from PubChem (CID 11163149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).