morpholin-4-yl-(3-phenyl-1-adamantyl)methanone

C21H27NO2 — CID 2953751

IUPACmorpholin-4-yl-(3-phenyl-1-adamantyl)methanone
SMILESO=C(N1CCOCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C21H27NO2/c23-19(22-6-8-24-9-7-22)21-13-16-10-17(14-21)12-20(11-16,15-21)18-4-2-1-3-5-18/h1-5,16-17H,6-15H2
InChIKeyYMYUGUCPVTUFCK-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.38
Rot. Bonds2

About morpholin-4-yl-(3-phenyl-1-adamantyl)methanone

morpholin-4-yl-(3-phenyl-1-adamantyl)methanone (PubChem CID 2953751) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is morpholin-4-yl-(3-phenyl-1-adamantyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3-phenyl-1-adamantyl)methanone
PubChem CID2953751
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Namemorpholin-4-yl-(3-phenyl-1-adamantyl)methanone
SMILESO=C(N1CCOCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C21H27NO2/c23-19(22-6-8-24-9-7-22)21-13-16-10-17(14-21)12-20(11-16,15-21)18-4-2-1-3-5-18/h1-5,16-17H,6-15H2
InChIKeyYMYUGUCPVTUFCK-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3-phenyl-1-adamantyl)methanone?
The IUPAC name of morpholin-4-yl-(3-phenyl-1-adamantyl)methanone (CID 2953751) is morpholin-4-yl-(3-phenyl-1-adamantyl)methanone.
What is the SMILES notation for morpholin-4-yl-(3-phenyl-1-adamantyl)methanone?
The canonical SMILES for morpholin-4-yl-(3-phenyl-1-adamantyl)methanone is O=C(N1CCOCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of morpholin-4-yl-(3-phenyl-1-adamantyl)methanone?
The InChIKey is YMYUGUCPVTUFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-19(22-6-8-24-9-7-22)21-13-16-10-17(14-21)12-20(11-16,15-21)18-4-2-1-3-5-18/h1-5,16-17H,6-15H2.
What are the key properties of morpholin-4-yl-(3-phenyl-1-adamantyl)methanone?
morpholin-4-yl-(3-phenyl-1-adamantyl)methanone has a molecular weight of 325.45 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3-phenyl-1-adamantyl)methanone is sourced from PubChem (CID 2953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).