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

C29H32N4O3 — CID 141473878

IUPAC3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
SMILESCCc1nc(-c2cccc(C(=O)NCCCCc3ccccc3)c2)n(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C29H32N4O3/c1-4-27-31-28(33(32-27)25-17-16-24(35-2)20-26(25)36-3)22-14-10-15-23(19-22)29(34)30-18-9-8-13-21-11-6-5-7-12-21/h5-7,10-12,14-17,19-20H,4,8-9,13,18H2,1-3H3,(H,30,34)
InChIKeyLNQIBRZQUZFKTH-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.27
Rot. Bonds11

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

3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide (PubChem CID 141473878) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
PubChem CID141473878
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
SMILESCCc1nc(-c2cccc(C(=O)NCCCCc3ccccc3)c2)n(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C29H32N4O3/c1-4-27-31-28(33(32-27)25-17-16-24(35-2)20-26(25)36-3)22-14-10-15-23(19-22)29(34)30-18-9-8-13-21-11-6-5-7-12-21/h5-7,10-12,14-17,19-20H,4,8-9,13,18H2,1-3H3,(H,30,34)
InChIKeyLNQIBRZQUZFKTH-UHFFFAOYSA-N
XLogP5.27
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
3-[5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 155551978
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-[3-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1,3-thiazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 175217089
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide (CID 141473878) is 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide is CCc1nc(-c2cccc(C(=O)NCCCCc3ccccc3)c2)n(-c2ccc(OC)cc2OC)n1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide?
The InChIKey is LNQIBRZQUZFKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-4-27-31-28(33(32-27)25-17-16-24(35-2)20-26(25)36-3)22-14-10-15-23(19-22)29(34)30-18-9-8-13-21-11-6-5-7-12-21/h5-7,10-12,14-17,19-20H,4,8-9,13,18H2,1-3H3,(H,30,34).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide?
3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide has a molecular weight of 484.60 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)-5-ethyl-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 141473878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).