N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

C21H24N4O — CID 118962221

IUPACN-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-15(2)19-10-8-17(9-11-19)12-21(26)23-20-13-22-25(24-20)14-18-6-4-16(3)5-7-18/h4-11,13,15H,12,14H2,1-3H3,(H,23,24,26)
InChIKeyOMKFLCHBXCUKRW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118962221) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118962221
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-15(2)19-10-8-17(9-11-19)12-21(26)23-20-13-22-25(24-20)14-18-6-4-16(3)5-7-18/h4-11,13,15H,12,14H2,1-3H3,(H,23,24,26)
InChIKeyOMKFLCHBXCUKRW-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118962221) is N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is Cc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OMKFLCHBXCUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)19-10-8-17(9-11-19)12-21(26)23-20-13-22-25(24-20)14-18-6-4-16(3)5-7-18/h4-11,13,15H,12,14H2,1-3H3,(H,23,24,26).
What are the key properties of N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118962221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).