2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

C11H13N5O2 — CID 953388

IUPAC2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-8-3-5-9(6-4-8)18-7-10(17)12-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3,(H,12,14,17)
InChIKeyALZQFZSUGYTDPL-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.54
Rot. Bonds4

About 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide

2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 953388) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID953388
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(OCC(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-8-3-5-9(6-4-8)18-7-10(17)12-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3,(H,12,14,17)
InChIKeyALZQFZSUGYTDPL-UHFFFAOYSA-N
XLogP0.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.54
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-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
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-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477
N-(2-ethyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 953039
2-(2,3-dimethylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 953413

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (CID 953388) is 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is Cc1ccc(OCC(=O)Nc2nnn(C)n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is ALZQFZSUGYTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-3-5-9(6-4-8)18-7-10(17)12-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3,(H,12,14,17).
What are the key properties of 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 953388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).