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

C16H21N5O2 — CID 936003

IUPAC2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H21N5O2/c1-21-19-16(18-20-21)17-15(22)11-23-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,19,22)
InChIKeyGGTRNHUGLYHAHH-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.28
Rot. Bonds5

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

2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 936003) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID936003
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C16H21N5O2/c1-21-19-16(18-20-21)17-15(22)11-23-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,19,22)
InChIKeyGGTRNHUGLYHAHH-UHFFFAOYSA-N
XLogP2.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.28
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-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
N-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 953388
2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 698947
N-(4H-1,2,4-triazol-3-yl)-2-[4-(methylethyl)phenoxy]acetamide
CID 704245

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide (CID 936003) is 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is Cn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is GGTRNHUGLYHAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21-19-16(18-20-21)17-15(22)11-23-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,19,22).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide?
2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 936003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).