N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide

C20H22N4O3 — CID 53332630

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-13-5-7-16(9-14(13)2)24-12-17(22-23-24)20(25)21-11-15-6-8-18(26-3)19(10-15)27-4/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyYMLSOUPFJHLVSC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide (PubChem CID 53332630) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
PubChem CID53332630
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1OC
InChIInChI=1S/C20H22N4O3/c1-13-5-7-16(9-14(13)2)24-12-17(22-23-24)20(25)21-11-15-6-8-18(26-3)19(10-15)27-4/h5-10,12H,11H2,1-4H3,(H,21,25)
InChIKeyYMLSOUPFJHLVSC-UHFFFAOYSA-N
XLogP2.83
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
N-[(2,5-dimethoxyphenyl)methyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332680
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[(4-chlorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)triazole-4-carboxamide
CID 13413922
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 45498531
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762676

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide (CID 53332630) is N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
The InChIKey is YMLSOUPFJHLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-5-7-16(9-14(13)2)24-12-17(22-23-24)20(25)21-11-15-6-8-18(26-3)19(10-15)27-4/h5-10,12H,11H2,1-4H3,(H,21,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 53332630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).