2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C20H23N5O — CID 51097419

IUPAC2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(C)C(C(=O)NCc1cccc(Cn2cncn2)c1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(2)19(18-9-4-3-5-10-18)20(26)22-12-16-7-6-8-17(11-16)13-25-15-21-14-23-25/h3-11,14-15,19H,12-13H2,1-2H3,(H,22,26)
InChIKeyQGPRTGPIDAEYLI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.25
Rot. Bonds7

About 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 51097419) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID51097419
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(C)C(C(=O)NCc1cccc(Cn2cncn2)c1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(2)19(18-9-4-3-5-10-18)20(26)22-12-16-7-6-8-17(11-16)13-25-15-21-14-23-25/h3-11,14-15,19H,12-13H2,1-2H3,(H,22,26)
InChIKeyQGPRTGPIDAEYLI-UHFFFAOYSA-N
XLogP2.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]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-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 51097419) is 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is CN(C)C(C(=O)NCc1cccc(Cn2cncn2)c1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is QGPRTGPIDAEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(2)19(18-9-4-3-5-10-18)20(26)22-12-16-7-6-8-17(11-16)13-25-15-21-14-23-25/h3-11,14-15,19H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 51097419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).