N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C20H21N5O3 — CID 24592713

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 24592713) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
• PubChem CID: 24592713
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
• SMILES: Cc1ccccc1-c1nnn(CC(=O)NCCc2ccc3c(c2)OCCO3)n1
• InChI: InChI=1S/C20H21N5O3/c1-14-4-2-3-5-16(14)20-22-24-25(23-20)13-19(26)21-9-8-15-6-7-17-18(12-15)28-11-10-27-17/h2-7,12H,8-11,13H2,1H3,(H,21,26)
• InChIKey: DJVRXQMYMLOHIW-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 24592713) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)NCCc2ccc3c(c2)OCCO3)n1.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?

The InChIKey is DJVRXQMYMLOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-4-2-3-5-16(14)20-22-24-25(23-20)13-19(26)21-9-8-15-6-7-17-18(12-15)28-11-10-27-17/h2-7,12H,8-11,13H2,1H3,(H,21,26).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 24592713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).