2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C19H28N6O2 — CID 55402241

IUPAC2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCC3CN(CC(C)C)CCO3)n2)cc1
InChIInChI=1S/C19H28N6O2/c1-14(2)11-24-8-9-27-17(12-24)10-20-18(26)13-25-22-19(21-23-25)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,26)
InChIKeyZFBSJNHQTIOZMV-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.12
Rot. Bonds7

About 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55402241) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55402241
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCC3CN(CC(C)C)CCO3)n2)cc1
InChIInChI=1S/C19H28N6O2/c1-14(2)11-24-8-9-27-17(12-24)10-20-18(26)13-25-22-19(21-23-25)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,26)
InChIKeyZFBSJNHQTIOZMV-UHFFFAOYSA-N
XLogP1.12
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55402241) is 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is Cc1ccc(-c2nnn(CC(=O)NCC3CN(CC(C)C)CCO3)n2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is ZFBSJNHQTIOZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14(2)11-24-8-9-27-17(12-24)10-20-18(26)13-25-22-19(21-23-25)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,26).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55402241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).