N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C17H17N5O3 — CID 654404

IUPACN-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H17N5O3/c1-2-24-16-9-4-3-8-15(16)19-17(23)11-25-14-7-5-6-13(10-14)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyJXLVHCHNPQWTAY-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.08
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 654404) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID654404
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H17N5O3/c1-2-24-16-9-4-3-8-15(16)19-17(23)11-25-14-7-5-6-13(10-14)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23)
InChIKeyJXLVHCHNPQWTAY-UHFFFAOYSA-N
XLogP2.08
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 654404) is N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is CCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is JXLVHCHNPQWTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-2-24-16-9-4-3-8-15(16)19-17(23)11-25-14-7-5-6-13(10-14)22-12-18-20-21-22/h3-10,12H,2,11H2,1H3,(H,19,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 654404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).