2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide

C15H29N5O — CID 60586371

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C15H29N5O/c1-11(2)8-7-9-12(3)16-13(21)10-20-14(15(4,5)6)17-18-19-20/h11-12H,7-10H2,1-6H3,(H,16,21)
InChIKeyUCMKKDCTFHPBMR-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.30
Rot. Bonds7

About 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide

2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide (PubChem CID 60586371) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
PubChem CID60586371
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cn1nnnc1C(C)(C)C
InChIInChI=1S/C15H29N5O/c1-11(2)8-7-9-12(3)16-13(21)10-20-14(15(4,5)6)17-18-19-20/h11-12H,7-10H2,1-6H3,(H,16,21)
InChIKeyUCMKKDCTFHPBMR-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide (CID 60586371) is 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)Cn1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is UCMKKDCTFHPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11(2)8-7-9-12(3)16-13(21)10-20-14(15(4,5)6)17-18-19-20/h11-12H,7-10H2,1-6H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 2.30, 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-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 60586371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).