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

C19H20N4O4 — CID 122172337

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(O)Cn2cnc(C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C19H20N4O4/c1-26-14-9-7-13(8-10-14)16(24)11-23-12-20-18(22-23)19(25)21-15-5-3-4-6-17(15)27-2/h3-10,12,16,24H,11H2,1-2H3,(H,21,25)
InChIKeyHBXHWXFORJQSAO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.28
Rot. Bonds7

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

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 122172337) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID122172337
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(C(O)Cn2cnc(C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C19H20N4O4/c1-26-14-9-7-13(8-10-14)16(24)11-23-12-20-18(22-23)19(25)21-15-5-3-4-6-17(15)27-2/h3-10,12,16,24H,11H2,1-2H3,(H,21,25)
InChIKeyHBXHWXFORJQSAO-UHFFFAOYSA-N
XLogP2.28
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 122172311
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 122172361
[1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2,4-triazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 122172384
1-(2-hydroxy-2-phenylethyl)-N-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 122172345
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
N-(2-methoxyphenyl)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 42918152
(2S)-N-(2-methoxyphenyl)-2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 39948957
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 3534204
N-(2-methoxyphenyl)-4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499445

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide (CID 122172337) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide is COc1ccc(C(O)Cn2cnc(C(=O)Nc3ccccc3OC)n2)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is HBXHWXFORJQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-26-14-9-7-13(8-10-14)16(24)11-23-12-20-18(22-23)19(25)21-15-5-3-4-6-17(15)27-2/h3-10,12,16,24H,11H2,1-2H3,(H,21,25).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-(2-methoxyphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.28, 7 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)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 122172337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).