2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide

C21H25N5O4 — CID 649643

IUPAC2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1
InChIInChI=1S/C21H25N5O4/c1-4-28-17-10-8-7-9-16(17)22-20(27)14-26-24-21(23-25-26)15-11-12-18(29-5-2)19(13-15)30-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,27)
InChIKeyYGJKYTVJBZTQJH-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.17
Rot. Bonds10

About 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide

2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 649643) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID649643
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1
InChIInChI=1S/C21H25N5O4/c1-4-28-17-10-8-7-9-16(17)22-20(27)14-26-24-21(23-25-26)15-11-12-18(29-5-2)19(13-15)30-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,27)
InChIKeyYGJKYTVJBZTQJH-UHFFFAOYSA-N
XLogP3.17
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide 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-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide (CID 649643) is 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1nnc(-c2ccc(OCC)c(OCC)c2)n1.
What is the InChIKey of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is YGJKYTVJBZTQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-4-28-17-10-8-7-9-16(17)22-20(27)14-26-24-21(23-25-26)15-11-12-18(29-5-2)19(13-15)30-6-3/h7-13H,4-6,14H2,1-3H3,(H,22,27).
What are the key properties of 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 649643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).