N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide

C23H20N4O2 — CID 12568896

IUPACN-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nn2nnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-20-14-12-17(13-15-20)16-21(28)25-27-23(19-10-6-3-7-11-19)22(24-26-27)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,28)
InChIKeyPGSLYCCTGWFGMA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.93
Rot. Bonds6

About N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide

N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 12568896) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID12568896
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nn2nnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-29-20-14-12-17(13-15-20)16-21(28)25-27-23(19-10-6-3-7-11-19)22(24-26-27)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,28)
InChIKeyPGSLYCCTGWFGMA-UHFFFAOYSA-N
XLogP3.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
methyl 2-[5-(4-methoxybenzoyl)-4-phenyltriazol-1-yl]acetate
CID 126087414
N-[3-(4-methoxyphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100516355
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide (CID 12568896) is N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nn2nnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is PGSLYCCTGWFGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-20-14-12-17(13-15-20)16-21(28)25-27-23(19-10-6-3-7-11-19)22(24-26-27)18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide?
N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyltriazol-1-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 12568896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).