2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

C18H19N5O — CID 589408

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyQGUMVIJMOUHVSK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.01
Rot. Bonds6

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide (PubChem CID 589408) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
PubChem CID589408
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyQGUMVIJMOUHVSK-UHFFFAOYSA-N
XLogP2.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide (CID 589408) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide is Cc1ccc(-c2nnn(CC(=O)NCCc3ccccc3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is QGUMVIJMOUHVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-7-9-16(10-8-14)18-20-22-23(21-18)13-17(24)19-12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 589408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).