Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate

C16H21NOTe — CID 101219479

IUPACTe-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate
SMILESCCC#CCN(CCCC)C(=O)[Te]c1ccccc1
InChIInChI=1S/C16H21NOTe/c1-3-5-10-14-17(13-6-4-2)16(18)19-15-11-8-7-9-12-15/h7-9,11-12H,3-4,6,13-14H2,1-2H3
InChIKeyFGXRBGGRKCFLSK-UHFFFAOYSA-N
MW370.95 g/mol
LogP2.65
Rot. Bonds6

About Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate

Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate (PubChem CID 101219479) has the molecular formula C16H21NOTe and a molecular weight of 370.95 g/mol. Its IUPAC name is Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate.

Molecular Properties

Compound NameTe-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate
PubChem CID101219479
Molecular FormulaC16H21NOTe
Molecular Weight370.95 g/mol
Exact Mass373.07
IUPAC NameTe-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate
SMILESCCC#CCN(CCCC)C(=O)[Te]c1ccccc1
InChIInChI=1S/C16H21NOTe/c1-3-5-10-14-17(13-6-4-2)16(18)19-15-11-8-7-9-12-15/h7-9,11-12H,3-4,6,13-14H2,1-2H3
InChIKeyFGXRBGGRKCFLSK-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate 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 Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate?
The IUPAC name of Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate (CID 101219479) is Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate.
What is the SMILES notation for Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate?
The canonical SMILES for Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate is CCC#CCN(CCCC)C(=O)[Te]c1ccccc1.
What is the InChIKey of Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate?
The InChIKey is FGXRBGGRKCFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOTe/c1-3-5-10-14-17(13-6-4-2)16(18)19-15-11-8-7-9-12-15/h7-9,11-12H,3-4,6,13-14H2,1-2H3.
What are the key properties of Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate?
Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate has a molecular weight of 370.95 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate is sourced from PubChem (CID 101219479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).