2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

C14H19N5O2 — CID 893151

IUPAC2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20)
InChIKeyFNIJYBMUYJCJET-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.72
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893151) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893151
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)COc2ccc(C)cc2C)n1
InChIInChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20)
InChIKeyFNIJYBMUYJCJET-UHFFFAOYSA-N
XLogP1.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide (CID 893151) is 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)COc2ccc(C)cc2C)n1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is FNIJYBMUYJCJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-7-19-17-14(16-18-19)15-13(20)9-21-12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H,15,17,20).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).