N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

C20H22N4O3 — CID 25368105

IUPACN-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(CCO)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H22N4O3/c1-27-18-9-7-17(8-10-18)14-24-15-19(21-22-24)20(26)23(11-12-25)13-16-5-3-2-4-6-16/h2-10,15,25H,11-14H2,1H3
InChIKeyIEUASFWFCBLCDE-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.97
Rot. Bonds8

About N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 25368105) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID25368105
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)N(CCO)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H22N4O3/c1-27-18-9-7-17(8-10-18)14-24-15-19(21-22-24)20(26)23(11-12-25)13-16-5-3-2-4-6-16/h2-10,15,25H,11-14H2,1H3
InChIKeyIEUASFWFCBLCDE-UHFFFAOYSA-N
XLogP1.97
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
N-benzyl-N-(2-hydroxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25457991
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
1-benzyl-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 86824246
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
N-benzyl-1-[(4-chlorophenyl)methyl]-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 26406270
N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 109468181
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (CID 25368105) is N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)N(CCO)Cc3ccccc3)nn2)cc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is IEUASFWFCBLCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-18-9-7-17(8-10-18)14-24-15-19(21-22-24)20(26)23(11-12-25)13-16-5-3-2-4-6-16/h2-10,15,25H,11-14H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 25368105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).