2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide

C27H37N5O — CID 10182233

IUPAC2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C27H37N5O/c1-2-3-4-5-6-7-8-9-10-17-22-32-30-26(29-31-32)25(23-18-13-11-14-19-23)27(33)28-24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3,(H,28,33)
InChIKeyCSWMBBVATRBAKP-UHFFFAOYSA-N
MW447.63 g/mol
LogP6.36
Rot. Bonds15

About 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide

2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide (PubChem CID 10182233) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide
PubChem CID10182233
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC Name2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide
SMILESCCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C27H37N5O/c1-2-3-4-5-6-7-8-9-10-17-22-32-30-26(29-31-32)25(23-18-13-11-14-19-23)27(33)28-24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3,(H,28,33)
InChIKeyCSWMBBVATRBAKP-UHFFFAOYSA-N
XLogP6.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide 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 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide (CID 10182233) is 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide is CCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide?
The InChIKey is CSWMBBVATRBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-2-3-4-5-6-7-8-9-10-17-22-32-30-26(29-31-32)25(23-18-13-11-14-19-23)27(33)28-24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3,(H,28,33).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide?
2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide has a molecular weight of 447.63 g/mol, XLogP of 6.36, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)-N,2-diphenylacetamide is sourced from PubChem (CID 10182233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).