N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C20H26N4O2 — CID 91767492

IUPACN-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(COc3cccc4c3CCCC4)n2C)C1
InChIInChI=1S/C20H26N4O2/c1-13(25)21-16-10-15(11-16)20-23-22-19(24(20)2)12-26-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9,15-16H,3-4,6,8,10-12H2,1-2H3,(H,21,25)
InChIKeyNDBMFHVZJNFWON-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.65
Rot. Bonds5

About N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91767492) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91767492
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(COc3cccc4c3CCCC4)n2C)C1
InChIInChI=1S/C20H26N4O2/c1-13(25)21-16-10-15(11-16)20-23-22-19(24(20)2)12-26-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9,15-16H,3-4,6,8,10-12H2,1-2H3,(H,21,25)
InChIKeyNDBMFHVZJNFWON-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91767492) is N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(COc3cccc4c3CCCC4)n2C)C1.
What is the InChIKey of N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is NDBMFHVZJNFWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(25)21-16-10-15(11-16)20-23-22-19(24(20)2)12-26-18-9-5-7-14-6-3-4-8-17(14)18/h5,7,9,15-16H,3-4,6,8,10-12H2,1-2H3,(H,21,25).
What are the key properties of N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91767492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).