N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

C21H22N4O4 — CID 16651776

IUPACN-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1cccc(C)c1
InChIInChI=1S/C21H22N4O4/c1-13-6-5-7-16(10-13)25-18(12-28-3)20(23-24-25)21(27)22-17-11-15(14(2)26)8-9-19(17)29-4/h5-11H,12H2,1-4H3,(H,22,27)
InChIKeyBTJZPKPYSKYOMW-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.19
Rot. Bonds7

About N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide

N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 16651776) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID16651776
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1cccc(C)c1
InChIInChI=1S/C21H22N4O4/c1-13-6-5-7-16(10-13)25-18(12-28-3)20(23-24-25)21(27)22-17-11-15(14(2)26)8-9-19(17)29-4/h5-11H,12H2,1-4H3,(H,22,27)
InChIKeyBTJZPKPYSKYOMW-UHFFFAOYSA-N
XLogP3.19
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651940
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 16651776) is N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2cc(C(C)=O)ccc2OC)nnn1-c1cccc(C)c1.
What is the InChIKey of N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is BTJZPKPYSKYOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-6-5-7-16(10-13)25-18(12-28-3)20(23-24-25)21(27)22-17-11-15(14(2)26)8-9-19(17)29-4/h5-11H,12H2,1-4H3,(H,22,27).
What are the key properties of N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide?
N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).