N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

C14H19N5O2 — CID 19577610

IUPACN-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC(C)(C)c1ccc(O)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-4-14(2,3)10-5-6-12(20)11(7-10)16-13(21)8-19-9-15-17-18-19/h5-7,9,20H,4,8H2,1-3H3,(H,16,21)
InChIKeyWEIQEZUZMOLVNA-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.71
Rot. Bonds5

About N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 19577610) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID19577610
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCC(C)(C)c1ccc(O)c(NC(=O)Cn2cnnn2)c1
InChIInChI=1S/C14H19N5O2/c1-4-14(2,3)10-5-6-12(20)11(7-10)16-13(21)8-19-9-15-17-18-19/h5-7,9,20H,4,8H2,1-3H3,(H,16,21)
InChIKeyWEIQEZUZMOLVNA-UHFFFAOYSA-N
XLogP1.71
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 19577610) is N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is CCC(C)(C)c1ccc(O)c(NC(=O)Cn2cnnn2)c1.
What is the InChIKey of N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is WEIQEZUZMOLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-14(2,3)10-5-6-12(20)11(7-10)16-13(21)8-19-9-15-17-18-19/h5-7,9,20H,4,8H2,1-3H3,(H,16,21).
What are the key properties of N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 19577610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).