N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

C14H19N5O2 — CID 952896

IUPACN-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-17-14(16-18-19)15-13(20)9-21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17,20)
InChIKeyQOQHLOXITUKCPL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds6

About N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 952896) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID952896
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-19-17-14(16-18-19)15-13(20)9-21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17,20)
InChIKeyQOQHLOXITUKCPL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 952896) is N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is CCn1nnc(NC(=O)COc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is QOQHLOXITUKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-19-17-14(16-18-19)15-13(20)9-21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,17,20).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 952896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).