2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide

C18H26N4O — CID 131912864

IUPAC2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1CCc1ccc(C)cc1C
InChIInChI=1S/C18H26N4O/c1-4-5-10-22-18(20-17(21-22)12-16(19)23)9-8-15-7-6-13(2)11-14(15)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,19,23)
InChIKeyOZRLZZDLTIFCRX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.51
Rot. Bonds8

About 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 131912864) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID131912864
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1CCc1ccc(C)cc1C
InChIInChI=1S/C18H26N4O/c1-4-5-10-22-18(20-17(21-22)12-16(19)23)9-8-15-7-6-13(2)11-14(15)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,19,23)
InChIKeyOZRLZZDLTIFCRX-UHFFFAOYSA-N
XLogP2.51
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide (CID 131912864) is 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1CCc1ccc(C)cc1C.
What is the InChIKey of 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OZRLZZDLTIFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-5-10-22-18(20-17(21-22)12-16(19)23)9-8-15-7-6-13(2)11-14(15)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,19,23).
What are the key properties of 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131912864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).