2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide

C13H17N5O2 — CID 3157292

IUPAC2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnn(CC)n2)cc1
InChIInChI=1S/C13H17N5O2/c1-3-10-5-7-11(8-6-10)20-9-12(19)14-13-15-17-18(4-2)16-13/h5-8H,3-4,9H2,1-2H3,(H,14,16,19)
InChIKeyLIWQNFWERCBSTC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.27
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide

2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide (PubChem CID 3157292) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
PubChem CID3157292
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnn(CC)n2)cc1
InChIInChI=1S/C13H17N5O2/c1-3-10-5-7-11(8-6-10)20-9-12(19)14-13-15-17-18(4-2)16-13/h5-8H,3-4,9H2,1-2H3,(H,14,16,19)
InChIKeyLIWQNFWERCBSTC-UHFFFAOYSA-N
XLogP1.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide (CID 3157292) is 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide is CCc1ccc(OCC(=O)Nc2nnn(CC)n2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide?
The InChIKey is LIWQNFWERCBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-10-5-7-11(8-6-10)20-9-12(19)14-13-15-17-18(4-2)16-13/h5-8H,3-4,9H2,1-2H3,(H,14,16,19).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide?
2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide is sourced from PubChem (CID 3157292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).