2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide

C20H28N4O2 — CID 72892875

IUPAC2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(C)c(OCc2nc(CC(N)=O)nn2C2CCCCC2)c1C
InChIInChI=1S/C20H28N4O2/c1-13-9-10-14(2)20(15(13)3)26-12-19-22-18(11-17(21)25)23-24(19)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H2,21,25)
InChIKeyGBUCLNPEJKUOFC-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide

2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72892875) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72892875
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
SMILESCc1ccc(C)c(OCc2nc(CC(N)=O)nn2C2CCCCC2)c1C
InChIInChI=1S/C20H28N4O2/c1-13-9-10-14(2)20(15(13)3)26-12-19-22-18(11-17(21)25)23-24(19)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H2,21,25)
InChIKeyGBUCLNPEJKUOFC-UHFFFAOYSA-N
XLogP3.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide (CID 72892875) is 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide is Cc1ccc(C)c(OCc2nc(CC(N)=O)nn2C2CCCCC2)c1C.
What is the InChIKey of 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GBUCLNPEJKUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-9-10-14(2)20(15(13)3)26-12-19-22-18(11-17(21)25)23-24(19)16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H2,21,25).
What are the key properties of 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72892875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).