N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide

C25H28N4O2 — CID 90671167

IUPACN-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide
SMILESCOc1ccc2cc(-c3cn(CC(=O)NC45CC6CC(CC(C6)C4)C5)nn3)ccc2c1
InChIInChI=1S/C25H28N4O2/c1-31-22-5-4-19-9-21(3-2-20(19)10-22)23-14-29(28-27-23)15-24(30)26-25-11-16-6-17(12-25)8-18(7-16)13-25/h2-5,9-10,14,16-18H,6-8,11-13,15H2,1H3,(H,26,30)
InChIKeyRXXFWZYRORJTPN-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.19
Rot. Bonds5

About N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide

N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide (PubChem CID 90671167) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide
PubChem CID90671167
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide
SMILESCOc1ccc2cc(-c3cn(CC(=O)NC45CC6CC(CC(C6)C4)C5)nn3)ccc2c1
InChIInChI=1S/C25H28N4O2/c1-31-22-5-4-19-9-21(3-2-20(19)10-22)23-14-29(28-27-23)15-24(30)26-25-11-16-6-17(12-25)8-18(7-16)13-25/h2-5,9-10,14,16-18H,6-8,11-13,15H2,1H3,(H,26,30)
InChIKeyRXXFWZYRORJTPN-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)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-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide (CID 90671167) is N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide is COc1ccc2cc(-c3cn(CC(=O)NC45CC6CC(CC(C6)C4)C5)nn3)ccc2c1.
What is the InChIKey of N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide?
The InChIKey is RXXFWZYRORJTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-22-5-4-19-9-21(3-2-20(19)10-22)23-14-29(28-27-23)15-24(30)26-25-11-16-6-17(12-25)8-18(7-16)13-25/h2-5,9-10,14,16-18H,6-8,11-13,15H2,1H3,(H,26,30).
What are the key properties of N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide?
N-(1-adamantyl)-2-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.19, 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-(6-methoxynaphthalen-2-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 90671167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).