2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide

C28H26N8O4 — CID 155534405

IUPAC2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccccc2OCc2cn(CC(=O)Nc3ccccc3)nn2)nn1)Nc1ccccc1
InChIInChI=1S/C28H26N8O4/c37-27(29-21-9-3-1-4-10-21)17-35-15-23(31-33-35)19-39-25-13-7-8-14-26(25)40-20-24-16-36(34-32-24)18-28(38)30-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,37)(H,30,38)
InChIKeyPTMJBOURYHBTLO-UHFFFAOYSA-N
MW538.57 g/mol
LogP3.31
Rot. Bonds12

About 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide

2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 155534405) has the molecular formula C28H26N8O4 and a molecular weight of 538.57 g/mol. Its IUPAC name is 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
PubChem CID155534405
Molecular FormulaC28H26N8O4
Molecular Weight538.57 g/mol
Exact Mass538.21
IUPAC Name2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccccc2OCc2cn(CC(=O)Nc3ccccc3)nn2)nn1)Nc1ccccc1
InChIInChI=1S/C28H26N8O4/c37-27(29-21-9-3-1-4-10-21)17-35-15-23(31-33-35)19-39-25-13-7-8-14-26(25)40-20-24-16-36(34-32-24)18-28(38)30-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,37)(H,30,38)
InChIKeyPTMJBOURYHBTLO-UHFFFAOYSA-N
XLogP3.31
TPSA138.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide (CID 155534405) is 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(COc2ccccc2OCc2cn(CC(=O)Nc3ccccc3)nn2)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is PTMJBOURYHBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O4/c37-27(29-21-9-3-1-4-10-21)17-35-15-23(31-33-35)19-39-25-13-7-8-14-26(25)40-20-24-16-36(34-32-24)18-28(38)30-22-11-5-2-6-12-22/h1-16H,17-20H2,(H,29,37)(H,30,38).
What are the key properties of 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide has a molecular weight of 538.57 g/mol, XLogP of 3.31, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 155534405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).