3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine

C22H37NO3 — CID 54093792

IUPAC3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine
SMILESCCCCCCCCN1CCOCC1CC(OCC)Oc1ccccc1
InChIInChI=1S/C22H37NO3/c1-3-5-6-7-8-12-15-23-16-17-24-19-20(23)18-22(25-4-2)26-21-13-10-9-11-14-21/h9-11,13-14,20,22H,3-8,12,15-19H2,1-2H3
InChIKeyMVRLCHIYBPEZKA-UHFFFAOYSA-N
MW363.54 g/mol
LogP4.88
Rot. Bonds13

About 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine

3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine (PubChem CID 54093792) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine.

Molecular Properties

Compound Name3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine
PubChem CID54093792
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine
SMILESCCCCCCCCN1CCOCC1CC(OCC)Oc1ccccc1
InChIInChI=1S/C22H37NO3/c1-3-5-6-7-8-12-15-23-16-17-24-19-20(23)18-22(25-4-2)26-21-13-10-9-11-14-21/h9-11,13-14,20,22H,3-8,12,15-19H2,1-2H3
InChIKeyMVRLCHIYBPEZKA-UHFFFAOYSA-N
XLogP4.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine?
The IUPAC name of 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine (CID 54093792) is 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine.
What is the SMILES notation for 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine?
The canonical SMILES for 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine is CCCCCCCCN1CCOCC1CC(OCC)Oc1ccccc1.
What is the InChIKey of 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine?
The InChIKey is MVRLCHIYBPEZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO3/c1-3-5-6-7-8-12-15-23-16-17-24-19-20(23)18-22(25-4-2)26-21-13-10-9-11-14-21/h9-11,13-14,20,22H,3-8,12,15-19H2,1-2H3.
What are the key properties of 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine?
3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine has a molecular weight of 363.54 g/mol, XLogP of 4.88, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-2-phenoxyethyl)-4-octylmorpholine is sourced from PubChem (CID 54093792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).