3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

C14H17N5O3 — CID 13026888

IUPAC3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(C(C)(C)C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C14H17N5O3/c1-7(20)9-5-8(14(2,3)4)6-10(11(9)21)12(22)15-13-16-18-19-17-13/h5-6,21H,1-4H3,(H2,15,16,17,18,19,22)
InChIKeyGCSFTKSLNWAGAI-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.66
Rot. Bonds3

About 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide

3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13026888) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13026888
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCC(=O)c1cc(C(C)(C)C)cc(C(=O)Nc2nn[nH]n2)c1O
InChIInChI=1S/C14H17N5O3/c1-7(20)9-5-8(14(2,3)4)6-10(11(9)21)12(22)15-13-16-18-19-17-13/h5-6,21H,1-4H3,(H2,15,16,17,18,19,22)
InChIKeyGCSFTKSLNWAGAI-UHFFFAOYSA-N
XLogP1.66
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide 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 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide (CID 13026888) is 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is CC(=O)c1cc(C(C)(C)C)cc(C(=O)Nc2nn[nH]n2)c1O.
What is the InChIKey of 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is GCSFTKSLNWAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-7(20)9-5-8(14(2,3)4)6-10(11(9)21)12(22)15-13-16-18-19-17-13/h5-6,21H,1-4H3,(H2,15,16,17,18,19,22).
What are the key properties of 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide?
3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 303.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-tert-butyl-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13026888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).