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

C17H27NO2 — CID 7065617

IUPAC(2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](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/t12-,13?,14?,15?,17?/m0/s1
InChIKeyUEFNQWNUXWBVSN-ORVZXPRGSA-N
MW277.41 g/mol
LogP2.49
Rot. Bonds3

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

(2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one (PubChem CID 7065617) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
PubChem CID7065617
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](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/t12-,13?,14?,15?,17?/m0/s1
InChIKeyUEFNQWNUXWBVSN-ORVZXPRGSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one (CID 7065617) is (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.
What is the InChIKey of (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is UEFNQWNUXWBVSN-ORVZXPRGSA-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/t12-,13?,14?,15?,17?/m0/s1.
What are the key properties of (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one?
(2S)-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 (2S)-1-(1-adamantyl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 7065617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).