4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

C20H29NO7 — CID 2935675

IUPAC4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESC=CCc1cc(OC)ccc1OCCN1CC(C)OC(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C18H27NO3.C2H2O4/c1-5-6-16-11-17(20-4)7-8-18(16)21-10-9-19-12-14(2)22-15(3)13-19;3-1(4)2(5)6/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyMRDYVWXVLOBCJE-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.07
Rot. Bonds7

About 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid

4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (PubChem CID 2935675) has the molecular formula C20H29NO7 and a molecular weight of 395.45 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
PubChem CID2935675
Molecular FormulaC20H29NO7
Molecular Weight395.45 g/mol
Exact Mass395.19
IUPAC Name4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
SMILESC=CCc1cc(OC)ccc1OCCN1CC(C)OC(C)C1.O=C(O)C(=O)O
InChIInChI=1S/C18H27NO3.C2H2O4/c1-5-6-16-11-17(20-4)7-8-18(16)21-10-9-19-12-14(2)22-15(3)13-19;3-1(4)2(5)6/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3;(H,3,4)(H,5,6)
InChIKeyMRDYVWXVLOBCJE-UHFFFAOYSA-N
XLogP2.07
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The IUPAC name of 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid (CID 2935675) is 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid.
What is the SMILES notation for 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The canonical SMILES for 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is C=CCc1cc(OC)ccc1OCCN1CC(C)OC(C)C1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
The InChIKey is MRDYVWXVLOBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.C2H2O4/c1-5-6-16-11-17(20-4)7-8-18(16)21-10-9-19-12-14(2)22-15(3)13-19;3-1(4)2(5)6/h5,7-8,11,14-15H,1,6,9-10,12-13H2,2-4H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid?
4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid has a molecular weight of 395.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid is sourced from PubChem (CID 2935675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).