N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide

C19H21N5O — CID 2219050

IUPACN-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide
SMILESCCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-2-3-14-24-22-19(21-23-24)20-18(25)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,20,22,25)
InChIKeyQPQNGMRGBDITML-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.24
Rot. Bonds7

About N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide

N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide (PubChem CID 2219050) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide
PubChem CID2219050
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide
SMILESCCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-2-3-14-24-22-19(21-23-24)20-18(25)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,20,22,25)
InChIKeyQPQNGMRGBDITML-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide (CID 2219050) is N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide is CCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide?
The InChIKey is QPQNGMRGBDITML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-3-14-24-22-19(21-23-24)20-18(25)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3,(H,20,22,25).
What are the key properties of N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide?
N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyltetrazol-5-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 2219050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).