N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide

C19H20N4O3 — CID 51207681

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H20N4O3/c1-13(16-11-15(25-2)9-10-18(16)26-3)21-19(24)17-12-20-23(22-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24)
InChIKeyVWONDEGSQRSJGZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide (PubChem CID 51207681) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
PubChem CID51207681
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H20N4O3/c1-13(16-11-15(25-2)9-10-18(16)26-3)21-19(24)17-12-20-23(22-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24)
InChIKeyVWONDEGSQRSJGZ-UHFFFAOYSA-N
XLogP2.78
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 52908939
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
N-pentan-2-yl-2-phenyltriazole-4-carboxamide
CID 18189508
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637870
N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449415
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 146123058

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide (CID 51207681) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is VWONDEGSQRSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(16-11-15(25-2)9-10-18(16)26-3)21-19(24)17-12-20-23(22-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,24).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51207681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).