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

C20H26ClNO2 — CID 2961771

IUPACN-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO2/c21-17-1-3-18(4-2-17)24-13-19(23)22-6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23)
InChIKeyXJHVJTZOTSDEFA-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.44
Rot. Bonds6

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

N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 2961771) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID2961771
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO2/c21-17-1-3-18(4-2-17)24-13-19(23)22-6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23)
InChIKeyXJHVJTZOTSDEFA-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide (CID 2961771) is N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is XJHVJTZOTSDEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c21-17-1-3-18(4-2-17)24-13-19(23)22-6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16H,5-13H2,(H,22,23).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 347.89 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).