2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide

C22H26N4O — CID 118962045

IUPAC2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide
SMILESCc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-16-5-7-18(8-6-16)15-26-23-14-20(25-26)24-21(27)13-17-9-11-19(12-10-17)22(2,3)4/h5-12,14H,13,15H2,1-4H3,(H,24,25,27)
InChIKeyHPHWRMWYRANQIE-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide

2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide (PubChem CID 118962045) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide
PubChem CID118962045
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide
SMILESCc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-16-5-7-18(8-6-16)15-26-23-14-20(25-26)24-21(27)13-17-9-11-19(12-10-17)22(2,3)4/h5-12,14H,13,15H2,1-4H3,(H,24,25,27)
InChIKeyHPHWRMWYRANQIE-UHFFFAOYSA-N
XLogP4.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide (CID 118962045) is 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide is Cc1ccc(Cn2ncc(NC(=O)Cc3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide?
The InChIKey is HPHWRMWYRANQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-5-7-18(8-6-16)15-26-23-14-20(25-26)24-21(27)13-17-9-11-19(12-10-17)22(2,3)4/h5-12,14H,13,15H2,1-4H3,(H,24,25,27).
What are the key properties of 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide?
2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[2-[(4-methylphenyl)methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 118962045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).