2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide

C13H17N5O2 — CID 154747632

IUPAC2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1nn[nH]n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)9-6-4-5-7-10(9)20-8-11(19)14-12-15-17-18-16-12/h4-7H,8H2,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyABKYYNFSBMBILZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.51
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide

2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 154747632) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
PubChem CID154747632
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1nn[nH]n1
InChIInChI=1S/C13H17N5O2/c1-13(2,3)9-6-4-5-7-10(9)20-8-11(19)14-12-15-17-18-16-12/h4-7H,8H2,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyABKYYNFSBMBILZ-UHFFFAOYSA-N
XLogP1.51
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
2-(2-tert-butylphenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787974
2-(2-tert-butylphenoxy)acetamide
CID 17051379
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
N-(6-amino-3-pyridinyl)-2-(2-tert-butylphenoxy)acetamide;hydrochloride
CID 119515831
2-(2-tert-butylphenoxy)-N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)acetamide
CID 166319183
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17050635
2-(2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 733445
2-(2-tert-butylphenoxy)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 24536655
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide (CID 154747632) is 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ABKYYNFSBMBILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,3)9-6-4-5-7-10(9)20-8-11(19)14-12-15-17-18-16-12/h4-7H,8H2,1-3H3,(H2,14,15,16,17,18,19).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide?
2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 154747632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).