2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide

C24H24N4O3 — CID 2101805

IUPAC2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1C
InChIInChI=1S/C24H24N4O3/c1-16-7-9-19(13-17(16)2)25-24(30)15-31-23-10-8-18(11-12-29)14-22(23)28-26-20-5-3-4-6-21(20)27-28/h3-10,13-14,29H,11-12,15H2,1-2H3,(H,25,30)
InChIKeyNDZXKKYQGGCPEV-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.59
Rot. Bonds7

About 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2101805) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID2101805
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1C
InChIInChI=1S/C24H24N4O3/c1-16-7-9-19(13-17(16)2)25-24(30)15-31-23-10-8-18(11-12-29)14-22(23)28-26-20-5-3-4-6-21(20)27-28/h3-10,13-14,29H,11-12,15H2,1-2H3,(H,25,30)
InChIKeyNDZXKKYQGGCPEV-UHFFFAOYSA-N
XLogP3.59
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)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-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 2101805) is 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1C.
What is the InChIKey of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is NDZXKKYQGGCPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-7-9-19(13-17(16)2)25-24(30)15-31-23-10-8-18(11-12-29)14-22(23)28-26-20-5-3-4-6-21(20)27-28/h3-10,13-14,29H,11-12,15H2,1-2H3,(H,25,30).
What are the key properties of 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 416.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).