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

C20H31NO7 — CID 2934633

IUPAC4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCc1cccc(OCCOCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO3.C2H2O4/c1-4-17-6-5-7-18(12-17)21-11-10-20-9-8-19-13-15(2)22-16(3)14-19;3-1(4)2(5)6/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUMQSDPOYNDBPPH-UHFFFAOYSA-N
MW397.47 g/mol
LogP1.91
Rot. Bonds8

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

4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2934633) has the molecular formula C20H31NO7 and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2934633
Molecular FormulaC20H31NO7
Molecular Weight397.47 g/mol
Exact Mass397.21
IUPAC Name4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCc1cccc(OCCOCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO3.C2H2O4/c1-4-17-6-5-7-18(12-17)21-11-10-20-9-8-19-13-15(2)22-16(3)14-19;3-1(4)2(5)6/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyUMQSDPOYNDBPPH-UHFFFAOYSA-N
XLogP1.91
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
CID 7379909
methyl 4-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]benzoate
CID 7412586
1-[2-[2-(3-methoxyphenoxy)ethoxy]ethyl]-3,5-dimethylpiperidine;oxalic acid
CID 2934230
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
3,5-dimethyl-1-[2-[2-(3-phenoxyphenoxy)ethoxy]ethyl]piperidine;oxalic acid
CID 2935913
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid (CID 2934633) is 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid is CCc1cccc(OCCOCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is UMQSDPOYNDBPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.C2H2O4/c1-4-17-6-5-7-18(12-17)21-11-10-20-9-8-19-13-15(2)22-16(3)14-19;3-1(4)2(5)6/h5-7,12,15-16H,4,8-11,13-14H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid?
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 397.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2934633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).