N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide

C20H19N2OTe+ — CID 88602734

IUPACN-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide
SMILESCC(=O)N(C=CC=Cc1[te]c2ccccc2[n+]1C)c1ccccc1
InChIInChI=1S/C20H19N2OTe/c1-16(23)22(17-10-4-3-5-11-17)15-9-8-14-20-21(2)18-12-6-7-13-19(18)24-20/h3-15H,1-2H3/q+1
InChIKeyRDNTVNLPWKEFPB-UHFFFAOYSA-N
MW430.99 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide

N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide (PubChem CID 88602734) has the molecular formula C20H19N2OTe+ and a molecular weight of 430.99 g/mol. Its IUPAC name is N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide
PubChem CID88602734
Molecular FormulaC20H19N2OTe+
Molecular Weight430.99 g/mol
Exact Mass433.06
IUPAC NameN-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide
SMILESCC(=O)N(C=CC=Cc1[te]c2ccccc2[n+]1C)c1ccccc1
InChIInChI=1S/C20H19N2OTe/c1-16(23)22(17-10-4-3-5-11-17)15-9-8-14-20-21(2)18-12-6-7-13-19(18)24-20/h3-15H,1-2H3/q+1
InChIKeyRDNTVNLPWKEFPB-UHFFFAOYSA-N
XLogP3.30
TPSA24.19 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.99
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide?
The IUPAC name of N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide (CID 88602734) is N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide.
What is the SMILES notation for N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide?
The canonical SMILES for N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide is CC(=O)N(C=CC=Cc1[te]c2ccccc2[n+]1C)c1ccccc1.
What is the InChIKey of N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide?
The InChIKey is RDNTVNLPWKEFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2OTe/c1-16(23)22(17-10-4-3-5-11-17)15-9-8-14-20-21(2)18-12-6-7-13-19(18)24-20/h3-15H,1-2H3/q+1.
What are the key properties of N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide?
N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide has a molecular weight of 430.99 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-1,3-benzotellurazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide is sourced from PubChem (CID 88602734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).