4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide

C17H24N6O2 — CID 136569394

IUPAC4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide
SMILESCCC1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)CC(CC)O1
InChIInChI=1S/C17H24N6O2/c1-3-14-10-22(11-15(4-2)25-14)17-19-20-21-23(17)9-12-5-7-13(8-6-12)16(18)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,18,24)
InChIKeyCXAYEMMQLABRCB-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.21
Rot. Bonds6

About 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide

4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide (PubChem CID 136569394) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide
PubChem CID136569394
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide
SMILESCCC1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)CC(CC)O1
InChIInChI=1S/C17H24N6O2/c1-3-14-10-22(11-15(4-2)25-14)17-19-20-21-23(17)9-12-5-7-13(8-6-12)16(18)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,18,24)
InChIKeyCXAYEMMQLABRCB-UHFFFAOYSA-N
XLogP1.21
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide (CID 136569394) is 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide is CCC1CN(c2nnnn2Cc2ccc(C(N)=O)cc2)CC(CC)O1.
What is the InChIKey of 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide?
The InChIKey is CXAYEMMQLABRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-14-10-22(11-15(4-2)25-14)17-19-20-21-23(17)9-12-5-7-13(8-6-12)16(18)24/h5-8,14-15H,3-4,9-11H2,1-2H3,(H2,18,24).
What are the key properties of 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide?
4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide has a molecular weight of 344.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-diethylmorpholin-4-yl)tetrazol-1-yl]methyl]benzamide is sourced from PubChem (CID 136569394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).