2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide

C20H21N5O3 — CID 70750399

IUPAC2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c21-17(26)13-22-18(27)14-25-20(28)24(12-11-15-7-3-1-4-8-15)19(23-25)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,26)(H,22,27)
InChIKeyLQEGTYSPDXDTAR-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.56
Rot. Bonds8

About 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide

2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide (PubChem CID 70750399) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
PubChem CID70750399
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c21-17(26)13-22-18(27)14-25-20(28)24(12-11-15-7-3-1-4-8-15)19(23-25)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,26)(H,22,27)
InChIKeyLQEGTYSPDXDTAR-UHFFFAOYSA-N
XLogP0.56
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]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-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide (CID 70750399) is 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1nc(-c2ccccc2)n(CCc2ccccc2)c1=O.
What is the InChIKey of 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide?
The InChIKey is LQEGTYSPDXDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-17(26)13-22-18(27)14-25-20(28)24(12-11-15-7-3-1-4-8-15)19(23-25)16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,21,26)(H,22,27).
What are the key properties of 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide?
2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide has a molecular weight of 379.42 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 70750399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).