N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide

C20H26BrNO2 — CID 5022507

IUPACN-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)cc1Br
InChIInChI=1S/C20H26BrNO2/c1-12-4-18(13(2)3-17(12)21)24-11-19(23)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,22,23)
InChIKeyVASYQTGBEFXDNU-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.53
Rot. Bonds4

About N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide

N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide (PubChem CID 5022507) has the molecular formula C20H26BrNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
PubChem CID5022507
Molecular FormulaC20H26BrNO2
Molecular Weight392.34 g/mol
Exact Mass391.11
IUPAC NameN-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)cc1Br
InChIInChI=1S/C20H26BrNO2/c1-12-4-18(13(2)3-17(12)21)24-11-19(23)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,22,23)
InChIKeyVASYQTGBEFXDNU-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)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-bromo-2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide (CID 5022507) is N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)cc1Br.
What is the InChIKey of N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
The InChIKey is VASYQTGBEFXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO2/c1-12-4-18(13(2)3-17(12)21)24-11-19(23)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16H,5-11H2,1-2H3,(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide?
N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide has a molecular weight of 392.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-bromo-2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 5022507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).