1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide

C20H22N4O4 — CID 122172361

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(O)Cn2cnc(C(=O)NCc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O4/c1-27-16-9-7-14(8-10-16)17(25)12-24-13-22-19(23-24)20(26)21-11-15-5-3-4-6-18(15)28-2/h3-10,13,17,25H,11-12H2,1-2H3,(H,21,26)
InChIKeyAEUFFHKXHUSEAK-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.96
Rot. Bonds8

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 122172361) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID122172361
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(O)Cn2cnc(C(=O)NCc3ccccc3OC)n2)cc1
InChIInChI=1S/C20H22N4O4/c1-27-16-9-7-14(8-10-16)17(25)12-24-13-22-19(23-24)20(26)21-11-15-5-3-4-6-18(15)28-2/h3-10,13,17,25H,11-12H2,1-2H3,(H,21,26)
InChIKeyAEUFFHKXHUSEAK-UHFFFAOYSA-N
XLogP1.96
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 122172345
[1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 122172384
1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342627
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 136519436
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 122172361) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide is COc1ccc(C(O)Cn2cnc(C(=O)NCc3ccccc3OC)n2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is AEUFFHKXHUSEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-16-9-7-14(8-10-16)17(25)12-24-13-22-19(23-24)20(26)21-11-15-5-3-4-6-18(15)28-2/h3-10,13,17,25H,11-12H2,1-2H3,(H,21,26).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 122172361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).