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

C28H26N8O4 — CID 162658186

IUPAC2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccc(OCc3cn(CC(=O)Nc4ccccc4)nn3)cc2)nn1)Nc1ccccc1
InChIInChI=1S/C28H26N8O4/c37-27(29-21-7-3-1-4-8-21)17-35-15-23(31-33-35)19-39-25-11-13-26(14-12-25)40-20-24-16-36(34-32-24)18-28(38)30-22-9-5-2-6-10-22/h1-16H,17-20H2,(H,29,37)(H,30,38)
InChIKeyLODIZYFAHSYBDB-UHFFFAOYSA-N
MW538.57 g/mol
LogP3.31
Rot. Bonds12

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

2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 162658186) has the molecular formula C28H26N8O4 and a molecular weight of 538.57 g/mol. Its IUPAC name is 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
PubChem CID162658186
Molecular FormulaC28H26N8O4
Molecular Weight538.57 g/mol
Exact Mass538.21
IUPAC Name2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(COc2ccc(OCc3cn(CC(=O)Nc4ccccc4)nn3)cc2)nn1)Nc1ccccc1
InChIInChI=1S/C28H26N8O4/c37-27(29-21-7-3-1-4-8-21)17-35-15-23(31-33-35)19-39-25-11-13-26(14-12-25)40-20-24-16-36(34-32-24)18-28(38)30-22-9-5-2-6-10-22/h1-16H,17-20H2,(H,29,37)(H,30,38)
InChIKeyLODIZYFAHSYBDB-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

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Related Compounds

2-[4-[[4-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162661489
2-[4-[[4-[[1-[2-(4-nitroanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 162674348
2-[4-[[2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 155511023
2-[4-[[3-[[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 155536481
2-[4-[[3-[[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide
CID 155543318
2-[4-[[2-[[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 155544086
2-[4-[[3-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
CID 155545690
2-[4-[[3-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 155554332
2-[4-[[2-[[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide
CID 155563621
2-[4-[[3-[[1-[2-(4-nitroanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 155564462
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
CID 100830469
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-[4-(phenoxymethyl)triazol-1-yl]acetamide
CID 72725406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide (CID 162658186) is 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(COc2ccc(OCc3cn(CC(=O)Nc4ccccc4)nn3)cc2)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is LODIZYFAHSYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O4/c37-27(29-21-7-3-1-4-8-21)17-35-15-23(31-33-35)19-39-25-11-13-26(14-12-25)40-20-24-16-36(34-32-24)18-28(38)30-22-9-5-2-6-10-22/h1-16H,17-20H2,(H,29,37)(H,30,38).
What are the key properties of 2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide?
2-[4-[[4-[[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-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 162658186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).