N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide

C24H22N4O4 — CID 4302061

IUPACN-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-20-11-4-16(5-12-20)24(29)26-18-7-9-19(10-8-18)28-21(15-25-27-28)17-6-13-22(31-2)23(14-17)32-3/h4-15H,1-3H3,(H,26,29)
InChIKeyXIZUBLQBOCXINX-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.21
Rot. Bonds7

About N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide

N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide (PubChem CID 4302061) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide
PubChem CID4302061
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H22N4O4/c1-30-20-11-4-16(5-12-20)24(29)26-18-7-9-19(10-8-18)28-21(15-25-27-28)17-6-13-22(31-2)23(14-17)32-3/h4-15H,1-3H3,(H,26,29)
InChIKeyXIZUBLQBOCXINX-UHFFFAOYSA-N
XLogP4.21
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
CID 4189088
2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 141484719
2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484722
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 141484732
2-(3,4-dimethoxyphenyl)-N-[1-(3-methoxyphenyl)pyrazol-4-yl]acetamide
CID 141484733
ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate
CID 2360935
N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}-2-furamide
CID 3243842
N-[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3244504
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4162672
4-(dimethylsulfamoyl)-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4617709

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide (CID 4302061) is N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide?
The InChIKey is XIZUBLQBOCXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-20-11-4-16(5-12-20)24(29)26-18-7-9-19(10-8-18)28-21(15-25-27-28)17-6-13-22(31-2)23(14-17)32-3/h4-15H,1-3H3,(H,26,29).
What are the key properties of N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide?
N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide has a molecular weight of 430.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 4302061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).