1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one

C17H27NO2 — CID 3110950

IUPAC1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C17H27NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyUEFNQWNUXWBVSN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one

1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one (PubChem CID 3110950) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
PubChem CID3110950
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C17H27NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyUEFNQWNUXWBVSN-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantan-1-yl-2-morpholin-4-yl-propan-1-one
CID 24746871
1-((3r,5r,7r)-Adamantan-1-yl)-2-((2-methoxyethyl)amino)propan-1-one hydrochloride
CID 2850439
2-(1-Adamantyl)-1-morpholin-4-ylethanone
CID 2741140
1-Propanone, 1-(1-adamantyl)-3-morpholino-, hydrochloride
CID 64176
1-(Adamantan-1-yl)-2-(morpholin-4-yl)ethan-1-one
CID 2728853
3-(1-Adamantyl)-1-morpholylpropan-3-one
CID 64177
3,5-Dimethyladamantanyl 2,6-dimethylmorpholin-4-yl ketone
CID 6467638
1-(1-Adamantyl)-2-(2-methoxyethylamino)propan-1-one
CID 660986
1-[4-[4-[2-Fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 90054942
1-[4-[4-[2-Fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 135266508
4-(3,5-Dimethyladamantane-1-carbonyl)morpholine
CID 2918656
2-(1-Adamantyl)-1-morpholin-4-ylpropan-1-one
CID 176436213

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one (CID 3110950) is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one is CC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is UEFNQWNUXWBVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3110950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).