N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide

C18H18N4O2 — CID 122193653

IUPACN-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
SMILESCOc1cccc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-24-16-9-5-8-15(10-16)17-12-22(21-20-17)13-18(23)19-11-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,19,23)
InChIKeyOUDRIKUGNAITDB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.27
Rot. Bonds6

About N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide

N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide (PubChem CID 122193653) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
PubChem CID122193653
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
SMILESCOc1cccc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1
InChIInChI=1S/C18H18N4O2/c1-24-16-9-5-8-15(10-16)17-12-22(21-20-17)13-18(23)19-11-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,19,23)
InChIKeyOUDRIKUGNAITDB-UHFFFAOYSA-N
XLogP2.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide (CID 122193653) is N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide is COc1cccc(-c2cn(CC(=O)NCc3ccccc3)nn2)c1.
What is the InChIKey of N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?
The InChIKey is OUDRIKUGNAITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-16-9-5-8-15(10-16)17-12-22(21-20-17)13-18(23)19-11-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,19,23).
What are the key properties of N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide?
N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 122193653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).