2-(2-dodecyltetrazol-5-yl)acetamide

C15H29N5O — CID 19377685

IUPAC2-(2-dodecyltetrazol-5-yl)acetamide
SMILESCCCCCCCCCCCCn1nnc(CC(N)=O)n1
InChIInChI=1S/C15H29N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-18-15(17-19-20)13-14(16)21/h2-13H2,1H3,(H2,16,21)
InChIKeyFQRDTZHTERIJSP-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.62
Rot. Bonds13

About 2-(2-dodecyltetrazol-5-yl)acetamide

2-(2-dodecyltetrazol-5-yl)acetamide (PubChem CID 19377685) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(2-dodecyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-dodecyltetrazol-5-yl)acetamide
PubChem CID19377685
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-(2-dodecyltetrazol-5-yl)acetamide
SMILESCCCCCCCCCCCCn1nnc(CC(N)=O)n1
InChIInChI=1S/C15H29N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-18-15(17-19-20)13-14(16)21/h2-13H2,1H3,(H2,16,21)
InChIKeyFQRDTZHTERIJSP-UHFFFAOYSA-N
XLogP2.62
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dodecyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(2-dodecyltetrazol-5-yl)acetamide (CID 19377685) is 2-(2-dodecyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-dodecyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2-dodecyltetrazol-5-yl)acetamide is CCCCCCCCCCCCn1nnc(CC(N)=O)n1.
What is the InChIKey of 2-(2-dodecyltetrazol-5-yl)acetamide?
The InChIKey is FQRDTZHTERIJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-18-15(17-19-20)13-14(16)21/h2-13H2,1H3,(H2,16,21).
What are the key properties of 2-(2-dodecyltetrazol-5-yl)acetamide?
2-(2-dodecyltetrazol-5-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dodecyltetrazol-5-yl)acetamide is sourced from PubChem (CID 19377685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).