2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide

C14H21N5O — CID 5125853

IUPAC2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H21N5O/c1-19-17-13(16-18-19)15-12(20)8-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3,(H,15,17,20)
InChIKeyPYXBNMFPVUGVTR-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.76
Rot. Bonds3

About 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide

2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide (PubChem CID 5125853) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide
PubChem CID5125853
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide
SMILESCn1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C14H21N5O/c1-19-17-13(16-18-19)15-12(20)8-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3,(H,15,17,20)
InChIKeyPYXBNMFPVUGVTR-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide (CID 5125853) is 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide is Cn1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide?
The InChIKey is PYXBNMFPVUGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-19-17-13(16-18-19)15-12(20)8-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-8H2,1H3,(H,15,17,20).
What are the key properties of 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide?
2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 5125853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).