2-(1-adamantylamino)-1-morpholin-4-ylethanone

C16H26N2O2 — CID 28567455

IUPAC2-(1-adamantylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C16H26N2O2/c19-15(18-1-3-20-4-2-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2
InChIKeyXASKOXIUPPMCRX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.40
Rot. Bonds3

About 2-(1-adamantylamino)-1-morpholin-4-ylethanone

2-(1-adamantylamino)-1-morpholin-4-ylethanone (PubChem CID 28567455) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-morpholin-4-ylethanone
PubChem CID28567455
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-adamantylamino)-1-morpholin-4-ylethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C16H26N2O2/c19-15(18-1-3-20-4-2-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2
InChIKeyXASKOXIUPPMCRX-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-adamantylamino)-1-morpholin-4-ylethanone (CID 28567455) is 2-(1-adamantylamino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-morpholin-4-ylethanone is O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCOCC1.
What is the InChIKey of 2-(1-adamantylamino)-1-morpholin-4-ylethanone?
The InChIKey is XASKOXIUPPMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15(18-1-3-20-4-2-18)11-17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14,17H,1-11H2.
What are the key properties of 2-(1-adamantylamino)-1-morpholin-4-ylethanone?
2-(1-adamantylamino)-1-morpholin-4-ylethanone has a molecular weight of 278.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 28567455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).