N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

C21H24N4O3 — CID 55886189

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1OC
InChIInChI=1S/C21H24N4O3/c1-5-28-18-10-9-16(12-19(18)27-4)13-22-21(26)20-15(3)25(24-23-20)17-8-6-7-14(2)11-17/h6-12H,5,13H2,1-4H3,(H,22,26)
InChIKeyJUFSKMBODYCZEC-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.22
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 55886189) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID55886189
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1OC
InChIInChI=1S/C21H24N4O3/c1-5-28-18-10-9-16(12-19(18)27-4)13-22-21(26)20-15(3)25(24-23-20)17-8-6-7-14(2)11-17/h6-12H,5,13H2,1-4H3,(H,22,26)
InChIKeyJUFSKMBODYCZEC-UHFFFAOYSA-N
XLogP3.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858245
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
1-(4-bromophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858211
5-methyl-1-(3-methylphenyl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]triazole-4-carboxamide
CID 55880779
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
5-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 55912886
1-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 55872076
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
CID 55648326
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide (CID 55886189) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is CCOc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is JUFSKMBODYCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-28-18-10-9-16(12-19(18)27-4)13-22-21(26)20-15(3)25(24-23-20)17-8-6-7-14(2)11-17/h6-12H,5,13H2,1-4H3,(H,22,26).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55886189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).