1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

C19H33NO3 — CID 2769721

IUPAC1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESOC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1
InChIInChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2
InChIKeyPHPZOAWILSNRQG-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.30
Rot. Bonds7

About 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 2769721) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID2769721
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESOC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1
InChIInChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2
InChIKeyPHPZOAWILSNRQG-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (CID 2769721) is 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is OC(COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1.
What is the InChIKey of 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PHPZOAWILSNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2.
What are the key properties of 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2769721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).