2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide

C24H32FNO2 — CID 16756387

IUPAC2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-2,5-6,16-18,20,22H,3-4,7-15H2,(H,26,27)
InChIKeyIJUODXHGMHJQKZ-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.24
Rot. Bonds5

About 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide

2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide (PubChem CID 16756387) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide
PubChem CID16756387
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H32FNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-2,5-6,16-18,20,22H,3-4,7-15H2,(H,26,27)
InChIKeyIJUODXHGMHJQKZ-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide (CID 16756387) is 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide?
The InChIKey is IJUODXHGMHJQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO2/c25-19-1-5-21(6-2-19)28-22-7-3-20(4-8-22)26-23(27)15-24-12-16-9-17(13-24)11-18(10-16)14-24/h1-2,5-6,16-18,20,22H,3-4,7-15H2,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide?
2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide has a molecular weight of 385.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[4-(4-fluorophenoxy)cyclohexyl]acetamide is sourced from PubChem (CID 16756387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).