2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide

C21H22N4O3 — CID 162646997

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C21H22N4O3/c1-27-20-8-3-2-7-19(20)22-21(26)13-25-12-17(23-24-25)14-28-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-12H,4-6,13-14H2,1H3,(H,22,26)
InChIKeyXYBCWAHUTZAOGC-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.99
Rot. Bonds7

About 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 162646997) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID162646997
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1cc(COc2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C21H22N4O3/c1-27-20-8-3-2-7-19(20)22-21(26)13-25-12-17(23-24-25)14-28-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-12H,4-6,13-14H2,1H3,(H,22,26)
InChIKeyXYBCWAHUTZAOGC-UHFFFAOYSA-N
XLogP2.99
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)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 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 162646997) is 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1cc(COc2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XYBCWAHUTZAOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-20-8-3-2-7-19(20)22-21(26)13-25-12-17(23-24-25)14-28-18-10-9-15-5-4-6-16(15)11-18/h2-3,7-12H,4-6,13-14H2,1H3,(H,22,26).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 162646997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).