2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

C24H33FN2O2 — CID 4963135

IUPAC2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C24H33FN2O2/c25-21-3-1-20(2-4-21)22(27-5-7-29-8-6-27)16-26-23(28)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,22H,5-16H2,(H,26,28)
InChIKeyORDQACODPYBHDH-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.92
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide

2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 4963135) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID4963135
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C24H33FN2O2/c25-21-3-1-20(2-4-21)22(27-5-7-29-8-6-27)16-26-23(28)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,22H,5-16H2,(H,26,28)
InChIKeyORDQACODPYBHDH-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide (CID 4963135) is 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is ORDQACODPYBHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2/c25-21-3-1-20(2-4-21)22(27-5-7-29-8-6-27)16-26-23(28)15-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19,22H,5-16H2,(H,26,28).
What are the key properties of 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide?
2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 4963135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).