4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine

C28H54N4O5 — CID 57183345

IUPAC4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CCN2CCOCC2)OC(CCN2CCOCC2)CN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)35-23)21-27(5-7-29-9-13-33-14-10-29)37-28(6-8-30-11-15-34-16-12-30)22-32-19-25(3)36-26(4)20-32/h23-28H,5-22H2,1-4H3
InChIKeyMBVQAMFFGVFBLO-UHFFFAOYSA-N
MW526.76 g/mol
LogP1.40
Rot. Bonds12

About 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine

4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine (PubChem CID 57183345) has the molecular formula C28H54N4O5 and a molecular weight of 526.76 g/mol. Its IUPAC name is 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine
PubChem CID57183345
Molecular FormulaC28H54N4O5
Molecular Weight526.76 g/mol
Exact Mass526.41
IUPAC Name4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CCN2CCOCC2)OC(CCN2CCOCC2)CN2CC(C)OC(C)C2)CC(C)O1
InChIInChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)35-23)21-27(5-7-29-9-13-33-14-10-29)37-28(6-8-30-11-15-34-16-12-30)22-32-19-25(3)36-26(4)20-32/h23-28H,5-22H2,1-4H3
InChIKeyMBVQAMFFGVFBLO-UHFFFAOYSA-N
XLogP1.40
TPSA59.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.76
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine (CID 57183345) is 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine is CC1CN(CC(CCN2CCOCC2)OC(CCN2CCOCC2)CN2CC(C)OC(C)C2)CC(C)O1.
What is the InChIKey of 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine?
The InChIKey is MBVQAMFFGVFBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4O5/c1-23-17-31(18-24(2)35-23)21-27(5-7-29-9-13-33-14-10-29)37-28(6-8-30-11-15-34-16-12-30)22-32-19-25(3)36-26(4)20-32/h23-28H,5-22H2,1-4H3.
What are the key properties of 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine?
4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine has a molecular weight of 526.76 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylbutan-2-yl]oxy-4-morpholin-4-ylbutyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 57183345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).