(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide

C16H15N5O2 — CID 39353384

IUPAC(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1
InChIInChI=1S/C16H15N5O2/c1-11-7-8-14(22)13(9-11)18-16(23)15(21-10-17-19-20-21)12-5-3-2-4-6-12/h2-10,15,22H,1H3,(H,18,23)/t15-/m1/s1
InChIKeyFBJOWPCZYQYDJH-OAHLLOKOSA-N
MW309.33 g/mol
LogP1.92
Rot. Bonds4

About (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 39353384) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID39353384
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(O)c(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1
InChIInChI=1S/C16H15N5O2/c1-11-7-8-14(22)13(9-11)18-16(23)15(21-10-17-19-20-21)12-5-3-2-4-6-12/h2-10,15,22H,1H3,(H,18,23)/t15-/m1/s1
InChIKeyFBJOWPCZYQYDJH-OAHLLOKOSA-N
XLogP1.92
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 39353384) is (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide is Cc1ccc(O)c(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1.
What is the InChIKey of (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is FBJOWPCZYQYDJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-7-8-14(22)13(9-11)18-16(23)15(21-10-17-19-20-21)12-5-3-2-4-6-12/h2-10,15,22H,1H3,(H,18,23)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxy-5-methylphenyl)-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 39353384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).