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

C22H27NO7 — CID 2923755

IUPACoxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCOCCN2CCOCC2)cc1
InChIInChI=1S/C20H25NO3.C2H2O4/c1-2-6-18(7-3-1)19-8-4-5-9-20(19)24-17-16-23-15-12-21-10-13-22-14-11-21;3-1(4)2(5)6/h1-9H,10-17H2;(H,3,4)(H,5,6)
InChIKeyJFZSLZKFABJBNT-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.24
Rot. Bonds8

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

oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine (PubChem CID 2923755) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Nameoxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
PubChem CID2923755
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Nameoxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
SMILESO=C(O)C(=O)O.c1ccc(-c2ccccc2OCCOCCN2CCOCC2)cc1
InChIInChI=1S/C20H25NO3.C2H2O4/c1-2-6-18(7-3-1)19-8-4-5-9-20(19)24-17-16-23-15-12-21-10-13-22-14-11-21;3-1(4)2(5)6/h1-9H,10-17H2;(H,3,4)(H,5,6)
InChIKeyJFZSLZKFABJBNT-UHFFFAOYSA-N
XLogP2.24
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.24
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'}

Analyze oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine (CID 2923755) is oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine is O=C(O)C(=O)O.c1ccc(-c2ccccc2OCCOCCN2CCOCC2)cc1.
What is the InChIKey of oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
The InChIKey is JFZSLZKFABJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.C2H2O4/c1-2-6-18(7-3-1)19-8-4-5-9-20(19)24-17-16-23-15-12-21-10-13-22-14-11-21;3-1(4)2(5)6/h1-9H,10-17H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine?
oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine has a molecular weight of 417.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 2923755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).