2-[4-(1-adamantyl)phenoxy]acetamide

C18H23NO2 — CID 2836006

IUPAC2-[4-(1-adamantyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,19,20)
InChIKeyWKSRVROQMRDPMN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.02
Rot. Bonds4

About 2-[4-(1-adamantyl)phenoxy]acetamide

2-[4-(1-adamantyl)phenoxy]acetamide (PubChem CID 2836006) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenoxy]acetamide
PubChem CID2836006
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[4-(1-adamantyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H23NO2/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,19,20)
InChIKeyWKSRVROQMRDPMN-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(1-adamantyl)phenoxy]acetamide (CID 2836006) is 2-[4-(1-adamantyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(1-adamantyl)phenoxy]acetamide is NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenoxy]acetamide?
The InChIKey is WKSRVROQMRDPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H2,19,20).
What are the key properties of 2-[4-(1-adamantyl)phenoxy]acetamide?
2-[4-(1-adamantyl)phenoxy]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenoxy]acetamide is sourced from PubChem (CID 2836006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).