2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

C18H33N7O2 — CID 25365316

IUPAC2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CCCN1CCOCC1)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C18H33N7O2/c1-22(7-6-10-23-11-13-27-14-12-23)18(26)16-25-17(19-20-21-25)15-24-8-4-2-3-5-9-24/h2-16H2,1H3
InChIKeyCOQKOMWHOVVRAZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.23
Rot. Bonds8

About 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide

2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 25365316) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID25365316
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCN(CCCN1CCOCC1)C(=O)Cn1nnnc1CN1CCCCCC1
InChIInChI=1S/C18H33N7O2/c1-22(7-6-10-23-11-13-27-14-12-23)18(26)16-25-17(19-20-21-25)15-24-8-4-2-3-5-9-24/h2-16H2,1H3
InChIKeyCOQKOMWHOVVRAZ-UHFFFAOYSA-N
XLogP0.23
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 25365316) is 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is CN(CCCN1CCOCC1)C(=O)Cn1nnnc1CN1CCCCCC1.
What is the InChIKey of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is COQKOMWHOVVRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-22(7-6-10-23-11-13-27-14-12-23)18(26)16-25-17(19-20-21-25)15-24-8-4-2-3-5-9-24/h2-16H2,1H3.
What are the key properties of 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 0.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepan-1-ylmethyl)tetrazol-1-yl]-N-methyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 25365316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).