2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C26H26N4O2 — CID 55981359

IUPAC2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)COc2ccccc2Cc2ccccc2)n[nH]1
InChIInChI=1S/C26H26N4O2/c1-18(2)25-28-26(30-29-25)21-13-7-8-14-22(21)27-24(31)17-32-23-15-9-6-12-20(23)16-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyVISLQYPLJWVTRF-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.20
Rot. Bonds8

About 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 55981359) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID55981359
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCC(C)c1nc(-c2ccccc2NC(=O)COc2ccccc2Cc2ccccc2)n[nH]1
InChIInChI=1S/C26H26N4O2/c1-18(2)25-28-26(30-29-25)21-13-7-8-14-22(21)27-24(31)17-32-23-15-9-6-12-20(23)16-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29,30)
InChIKeyVISLQYPLJWVTRF-UHFFFAOYSA-N
XLogP5.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 60559768
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
3-(2,4-dimethylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 55980333
2-(cyclopropylmethylamino)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide;hydrochloride
CID 119737134
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetamide
CID 167839928
2-(2-benzylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 60521789
2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492222

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 55981359) is 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is CC(C)c1nc(-c2ccccc2NC(=O)COc2ccccc2Cc2ccccc2)n[nH]1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is VISLQYPLJWVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-18(2)25-28-26(30-29-25)21-13-7-8-14-22(21)27-24(31)17-32-23-15-9-6-12-20(23)16-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,29,30).
What are the key properties of 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 55981359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).