2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide

C17H30N6O2 — CID 45174643

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C17H30N6O2/c1-21(12-15-8-4-7-11-25-15)17(24)14-23-16(18-19-20-23)13-22-9-5-2-3-6-10-22/h15H,2-14H2,1H3
InChIKeyBRCCIJXCESOYGW-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.08
Rot. Bonds6

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide (PubChem CID 45174643) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide
PubChem CID45174643
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C17H30N6O2/c1-21(12-15-8-4-7-11-25-15)17(24)14-23-16(18-19-20-23)13-22-9-5-2-3-6-10-22/h15H,2-14H2,1H3
InChIKeyBRCCIJXCESOYGW-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide (CID 45174643) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide is CN(CC1CCCCO1)C(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is BRCCIJXCESOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-21(12-15-8-4-7-11-25-15)17(24)14-23-16(18-19-20-23)13-22-9-5-2-3-6-10-22/h15H,2-14H2,1H3.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 45174643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).