N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide

C20H26BrNO2 — CID 3587350

IUPACN-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26BrNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)
InChIKeyUYOIDFOOMLXIDV-UHFFFAOYSA-N
MW392.34 g/mol
LogP4.55
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide

N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide (PubChem CID 3587350) has the molecular formula C20H26BrNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide
PubChem CID3587350
Molecular FormulaC20H26BrNO2
Molecular Weight392.34 g/mol
Exact Mass391.11
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26BrNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23)
InChIKeyUYOIDFOOMLXIDV-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide (CID 3587350) is N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide is CC(NC(=O)COc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is UYOIDFOOMLXIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO2/c1-13(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(23)12-24-18-4-2-17(21)3-5-18/h2-5,13-16H,6-12H2,1H3,(H,22,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 392.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 3587350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).