4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

C18H27NO7 — CID 2934905

IUPAC4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCOc1cccc(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-4-18-15-6-5-7-16(10-15)19-9-8-17-11-13(2)20-14(3)12-17;3-1(4)2(5)6/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDOCJJSZRCMEHCM-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.73
Rot. Bonds6

About 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2934905) has the molecular formula C18H27NO7 and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2934905
Molecular FormulaC18H27NO7
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC Name4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCOc1cccc(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO3.C2H2O4/c1-4-18-15-6-5-7-16(10-15)19-9-8-17-11-13(2)20-14(3)12-17;3-1(4)2(5)6/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDOCJJSZRCMEHCM-UHFFFAOYSA-N
XLogP1.73
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (CID 2934905) is 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is CCOc1cccc(OCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is DOCJJSZRCMEHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.C2H2O4/c1-4-18-15-6-5-7-16(10-15)19-9-8-17-11-13(2)20-14(3)12-17;3-1(4)2(5)6/h5-7,10,13-14H,4,8-9,11-12H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 369.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2934905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).