2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide

C18H19N5O — CID 893784

IUPAC2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-2-13-23-21-18(20-22-23)19-17(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21,24)
InChIKeyJAQPOQILWCFFDX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds6

About 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide

2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide (PubChem CID 893784) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide
PubChem CID893784
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide
SMILESCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-2-13-23-21-18(20-22-23)19-17(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21,24)
InChIKeyJAQPOQILWCFFDX-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide?
The IUPAC name of 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide (CID 893784) is 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide?
The canonical SMILES for 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide is CCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide?
The InChIKey is JAQPOQILWCFFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-13-23-21-18(20-22-23)19-17(24)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,19,21,24).
What are the key properties of 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide?
2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-(2-propyltetrazol-5-yl)acetamide is sourced from PubChem (CID 893784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).