2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

C12H15N5O2 — CID 953413

IUPAC2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nnn(C)n2)c1C
InChIInChI=1S/C12H15N5O2/c1-8-5-4-6-10(9(8)2)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18)
InChIKeyASGIGKKRONGCEA-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.84
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 953413) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID953413
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2nnn(C)n2)c1C
InChIInChI=1S/C12H15N5O2/c1-8-5-4-6-10(9(8)2)19-7-11(18)13-12-14-16-17(3)15-12/h4-6H,7H2,1-3H3,(H,13,15,18)
InChIKeyASGIGKKRONGCEA-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-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-cyclohexylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936003
2-(4-cyclohexylphenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 953175
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
2-(2,3-dimethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 674929
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(2,5-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 733458
2-(4-chloro-2-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893324
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (CID 953413) is 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is Cc1cccc(OCC(=O)Nc2nnn(C)n2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is ASGIGKKRONGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-5-4-6-10(9(8)2)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-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
2-(2,3-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-(2,3-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 953413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).