2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone

C22H29NO2 — CID 98161319

IUPAC2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone
SMILESO=C(CN1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m1/s1
InChIKeyIUISOIYTZCQMGT-NFAVZRQZSA-N
MW339.48 g/mol
LogP3.43
Rot. Bonds4

About 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone

2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone (PubChem CID 98161319) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone
PubChem CID98161319
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone
SMILESO=C(CN1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m1/s1
InChIKeyIUISOIYTZCQMGT-NFAVZRQZSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone (CID 98161319) is 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone is O=C(CN1CCOCC1)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone?
The InChIKey is IUISOIYTZCQMGT-NFAVZRQZSA-N. The full InChI is InChI=1S/C22H29NO2/c24-20(15-23-6-8-25-9-7-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2/t17-,18-,21?,22?/m1/s1.
What are the key properties of 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone?
2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone has a molecular weight of 339.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[(5R,7R)-3-phenyl-1-adamantyl]ethanone is sourced from PubChem (CID 98161319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).