N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

C26H25N5O4 — CID 55887228

IUPACN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1
InChIInChI=1S/C26H25N5O4/c1-17-8-6-11-21(14-17)31-18(2)25(29-30-31)26(33)28-20-10-7-9-19(15-20)27-24(32)16-35-23-13-5-4-12-22(23)34-3/h4-15H,16H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyRGVMWJNSIZGJSH-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.16
Rot. Bonds8

About N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55887228) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55887228
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1
InChIInChI=1S/C26H25N5O4/c1-17-8-6-11-21(14-17)31-18(2)25(29-30-31)26(33)28-20-10-7-9-19(15-20)27-24(32)16-35-23-13-5-4-12-22(23)34-3/h4-15H,16H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyRGVMWJNSIZGJSH-UHFFFAOYSA-N
XLogP4.16
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
5-methyl-1-(3-methylphenyl)-N'-[2-(2-phenylphenoxy)acetyl]triazole-4-carbohydrazide
CID 60520886
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55886189
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 55887228) is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is RGVMWJNSIZGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-17-8-6-11-21(14-17)31-18(2)25(29-30-31)26(33)28-20-10-7-9-19(15-20)27-24(32)16-35-23-13-5-4-12-22(23)34-3/h4-15H,16H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55887228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).