3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide

C26H26N4O2 — CID 155551978

IUPAC3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
SMILESCOc1ccc(-c2ncnn2-c2cccc(C(=O)NCCCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-24-15-13-21(14-16-24)25-28-19-29-30(25)23-12-7-11-22(18-23)26(31)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,18-19H,5-6,10,17H2,1H3,(H,27,31)
InChIKeyVBCPEUJSYLPTHY-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.70
Rot. Bonds9

About 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide

3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide (PubChem CID 155551978) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
PubChem CID155551978
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
SMILESCOc1ccc(-c2ncnn2-c2cccc(C(=O)NCCCCc3ccccc3)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-32-24-15-13-21(14-16-24)25-28-19-29-30(25)23-12-7-11-22(18-23)26(31)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,18-19H,5-6,10,17H2,1H3,(H,27,31)
InChIKeyVBCPEUJSYLPTHY-UHFFFAOYSA-N
XLogP4.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315
3-[3-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155544375
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141473849
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473878
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
CID 17233441
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide (CID 155551978) is 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide is COc1ccc(-c2ncnn2-c2cccc(C(=O)NCCCCc3ccccc3)c2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide?
The InChIKey is VBCPEUJSYLPTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-24-15-13-21(14-16-24)25-28-19-29-30(25)23-12-7-11-22(18-23)26(31)27-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,18-19H,5-6,10,17H2,1H3,(H,27,31).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide?
3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 155551978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).