2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide

C14H27N5O — CID 60586391

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C14H27N5O/c1-6-7-8-9-11(2)15-12(20)10-19-13(14(3,4)5)16-17-18-19/h11H,6-10H2,1-5H3,(H,15,20)
InChIKeySBUQSEKGHNWNGG-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.06
Rot. Bonds7

About 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide

2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide (PubChem CID 60586391) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide
PubChem CID60586391
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide
SMILESCCCCCC(C)NC(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C14H27N5O/c1-6-7-8-9-11(2)15-12(20)10-19-13(14(3,4)5)16-17-18-19/h11H,6-10H2,1-5H3,(H,15,20)
InChIKeySBUQSEKGHNWNGG-UHFFFAOYSA-N
XLogP2.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.06
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-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide (CID 60586391) is 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide is CCCCCC(C)NC(=O)Cn1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide?
The InChIKey is SBUQSEKGHNWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-6-7-8-9-11(2)15-12(20)10-19-13(14(3,4)5)16-17-18-19/h11H,6-10H2,1-5H3,(H,15,20).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide?
2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-heptan-2-ylacetamide is sourced from PubChem (CID 60586391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).