2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid

C21H33NO7 — CID 2934356

IUPAC2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
SMILESCc1ccc(C)c(OCCOCCN2CC(C)OC(C)C2)c1C.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO3.C2H2O4/c1-14-6-7-15(2)19(18(14)5)22-11-10-21-9-8-20-12-16(3)23-17(4)13-20;3-1(4)2(5)6/h6-7,16-17H,8-13H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyNGPGDWIFIDAPKH-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.27
Rot. Bonds7

About 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid

2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid (PubChem CID 2934356) has the molecular formula C21H33NO7 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
PubChem CID2934356
Molecular FormulaC21H33NO7
Molecular Weight411.50 g/mol
Exact Mass411.23
IUPAC Name2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
SMILESCc1ccc(C)c(OCCOCCN2CC(C)OC(C)C2)c1C.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO3.C2H2O4/c1-14-6-7-15(2)19(18(14)5)22-11-10-21-9-8-20-12-16(3)23-17(4)13-20;3-1(4)2(5)6/h6-7,16-17H,8-13H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyNGPGDWIFIDAPKH-UHFFFAOYSA-N
XLogP2.27
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid (CID 2934356) is 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid is Cc1ccc(C)c(OCCOCCN2CC(C)OC(C)C2)c1C.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
The InChIKey is NGPGDWIFIDAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3.C2H2O4/c1-14-6-7-15(2)19(18(14)5)22-11-10-21-9-8-20-12-16(3)23-17(4)13-20;3-1(4)2(5)6/h6-7,16-17H,8-13H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid has a molecular weight of 411.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2934356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).