4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid

C18H27NO8 — CID 2923074

IUPAC4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid
SMILESCCOc1ccc(OCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO4.C2H2O4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17;3-1(4)2(5)6/h3-6H,2,7-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyLUJDRMGWMQPLFJ-UHFFFAOYSA-N
MW385.41 g/mol
LogP0.97
Rot. Bonds9

About 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid

4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid (PubChem CID 2923074) has the molecular formula C18H27NO8 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid
PubChem CID2923074
Molecular FormulaC18H27NO8
Molecular Weight385.41 g/mol
Exact Mass385.17
IUPAC Name4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid
SMILESCCOc1ccc(OCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO4.C2H2O4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17;3-1(4)2(5)6/h3-6H,2,7-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyLUJDRMGWMQPLFJ-UHFFFAOYSA-N
XLogP0.97
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid (CID 2923074) is 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid is CCOc1ccc(OCCOCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The InChIKey is LUJDRMGWMQPLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4.C2H2O4/c1-2-20-15-3-5-16(6-4-15)21-14-13-19-12-9-17-7-10-18-11-8-17;3-1(4)2(5)6/h3-6H,2,7-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid has a molecular weight of 385.41 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2923074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).