N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide

C19H20N4O3 — CID 122193651

IUPACN-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4O3/c1-25-16-8-15(9-17(10-16)26-2)18-12-23(22-21-18)13-19(24)20-11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,20,24)
InChIKeyOWNWPUJRCYRESV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.28
Rot. Bonds7

About N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide

N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide (PubChem CID 122193651) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
PubChem CID122193651
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4O3/c1-25-16-8-15(9-17(10-16)26-2)18-12-23(22-21-18)13-19(24)20-11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,20,24)
InChIKeyOWNWPUJRCYRESV-UHFFFAOYSA-N
XLogP2.28
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-(3,5-dimethoxyphenyl)triazole
CID 70640912
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-methyl-4-pyridinyl)triazol-1-yl]acetamide
CID 167773057
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide (CID 122193651) is N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide is COc1cc(OC)cc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1.
What is the InChIKey of N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide?
The InChIKey is OWNWPUJRCYRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-8-15(9-17(10-16)26-2)18-12-23(22-21-18)13-19(24)20-11-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide?
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 122193651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).