N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide

C18H26N6O — CID 860880

IUPACN-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C18H26N6O/c1-22(2)15-11-9-14(10-12-15)18-19-21-24(20-18)13-17(25)23(3)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3
InChIKeyGJSWNYNXLUTASJ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.20
Rot. Bonds5

About N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide

N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide (PubChem CID 860880) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide
PubChem CID860880
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide
SMILESCN(C)c1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1
InChIInChI=1S/C18H26N6O/c1-22(2)15-11-9-14(10-12-15)18-19-21-24(20-18)13-17(25)23(3)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3
InChIKeyGJSWNYNXLUTASJ-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide (CID 860880) is N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide is CN(C)c1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide?
The InChIKey is GJSWNYNXLUTASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22(2)15-11-9-14(10-12-15)18-19-21-24(20-18)13-17(25)23(3)16-7-5-4-6-8-16/h9-12,16H,4-8,13H2,1-3H3.
What are the key properties of N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide?
N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide has a molecular weight of 342.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 860880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).