N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide

C22H28N4O2 — CID 90671159

IUPACN-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c(C)c1
InChIInChI=1S/C22H28N4O2/c1-14-5-18(28-2)3-4-19(14)20-12-26(25-24-20)13-21(27)23-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,12,15-17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyJWOOSDVCPTTWMU-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds5

About N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide

N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide (PubChem CID 90671159) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide
PubChem CID90671159
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c(C)c1
InChIInChI=1S/C22H28N4O2/c1-14-5-18(28-2)3-4-19(14)20-12-26(25-24-20)13-21(27)23-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,12,15-17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyJWOOSDVCPTTWMU-UHFFFAOYSA-N
XLogP3.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]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 N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide (CID 90671159) is N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide is COc1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)c(C)c1.
What is the InChIKey of N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The InChIKey is JWOOSDVCPTTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14-5-18(28-2)3-4-19(14)20-12-26(25-24-20)13-21(27)23-22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,12,15-17H,6-11,13H2,1-2H3,(H,23,27).
What are the key properties of N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(4-methoxy-2-methylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 90671159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).