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

C12H15N5O2 — CID 654531

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
InChIInChI=1S/C12H15N5O2/c1-8-4-5-10(9(2)6-8)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18)
InChIKeyCPIQOFHCTLKRBI-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.84
Rot. Bonds4

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

2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 654531) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID654531
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
InChIInChI=1S/C12H15N5O2/c1-8-4-5-10(9(2)6-8)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18)
InChIKeyCPIQOFHCTLKRBI-UHFFFAOYSA-N
XLogP0.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(2-butyltetrazol-5-yl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3502326
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953421
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-methyltetrazol-5-yl)acetamide
CID 953422
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (CID 654531) is 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is CPIQOFHCTLKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-4-5-10(9(2)6-8)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.84, 4 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-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 654531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).