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

C19H29NO6 — CID 2935433

IUPAC4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCc1cccc(OCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-4-16-7-5-8-17(11-16)19-10-6-9-18-12-14(2)20-15(3)13-18;3-1(4)2(5)6/h5,7-8,11,14-15H,4,6,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySGUXPCQQHBQURS-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.28
Rot. Bonds6

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

4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2935433) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2935433
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
SMILESCCc1cccc(OCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-4-16-7-5-8-17(11-16)19-10-6-9-18-12-14(2)20-15(3)13-18;3-1(4)2(5)6/h5,7-8,11,14-15H,4,6,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeySGUXPCQQHBQURS-UHFFFAOYSA-N
XLogP2.28
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
4-[2-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
1-[4-(3-ethylphenoxy)butyl]piperidine;oxalic acid
CID 2922693
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
CID 2995034
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid (CID 2935433) is 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid is CCc1cccc(OCCCN2CC(C)OC(C)C2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is SGUXPCQQHBQURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H2O4/c1-4-16-7-5-8-17(11-16)19-10-6-9-18-12-14(2)20-15(3)13-18;3-1(4)2(5)6/h5,7-8,11,14-15H,4,6,9-10,12-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid?
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 367.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2935433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).