2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid

C21H33NO6 — CID 2934772

IUPAC2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccc(C(C)C)cc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO2.C2H2O4/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20;3-1(4)2(5)6/h7-10,15-17H,5-6,11-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyMSLBJXMCAKMUQL-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.23
Rot. Bonds7

About 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid

2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid (PubChem CID 2934772) has the molecular formula C21H33NO6 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid
PubChem CID2934772
Molecular FormulaC21H33NO6
Molecular Weight395.50 g/mol
Exact Mass395.23
IUPAC Name2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccc(C(C)C)cc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C19H31NO2.C2H2O4/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20;3-1(4)2(5)6/h7-10,15-17H,5-6,11-14H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyMSLBJXMCAKMUQL-UHFFFAOYSA-N
XLogP3.23
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid (CID 2934772) is 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid is CC1CN(CCCCOc2ccc(C(C)C)cc2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid?
The InChIKey is MSLBJXMCAKMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2.C2H2O4/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20;3-1(4)2(5)6/h7-10,15-17H,5-6,11-14H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid?
2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid has a molecular weight of 395.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine;oxalic acid is sourced from PubChem (CID 2934772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).