N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide

C14H19N5O2 — CID 91823247

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccccc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C14H19N5O2/c1-9(2)12(8-20)15-14(21)11-6-4-5-7-13(11)19-10(3)16-17-18-19/h4-7,9,12,20H,8H2,1-3H3,(H,15,21)
InChIKeyCWEJDFDQQIVQAT-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.72
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide (PubChem CID 91823247) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
PubChem CID91823247
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCc1nnnn1-c1ccccc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C14H19N5O2/c1-9(2)12(8-20)15-14(21)11-6-4-5-7-13(11)19-10(3)16-17-18-19/h4-7,9,12,20H,8H2,1-3H3,(H,15,21)
InChIKeyCWEJDFDQQIVQAT-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide (CID 91823247) is N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide is Cc1nnnn1-c1ccccc1C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is CWEJDFDQQIVQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)12(8-20)15-14(21)11-6-4-5-7-13(11)19-10(3)16-17-18-19/h4-7,9,12,20H,8H2,1-3H3,(H,15,21).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 289.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 91823247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).