ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate

C25H33NO5 — CID 23136279

IUPACethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2cccc(OCCN3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H33NO5/c1-3-29-25(27)10-8-21-7-9-24(20(2)17-21)31-19-22-5-4-6-23(18-22)30-16-13-26-11-14-28-15-12-26/h4-7,9,17-18H,3,8,10-16,19H2,1-2H3
InChIKeyCDRGKRMGLLTYJI-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.78
Rot. Bonds11

About ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate

ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate (PubChem CID 23136279) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate
PubChem CID23136279
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Nameethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2cccc(OCCN3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H33NO5/c1-3-29-25(27)10-8-21-7-9-24(20(2)17-21)31-19-22-5-4-6-23(18-22)30-16-13-26-11-14-28-15-12-26/h4-7,9,17-18H,3,8,10-16,19H2,1-2H3
InChIKeyCDRGKRMGLLTYJI-UHFFFAOYSA-N
XLogP3.78
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate (CID 23136279) is ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate is CCOC(=O)CCc1ccc(OCc2cccc(OCCN3CCOCC3)c2)c(C)c1.
What is the InChIKey of ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate?
The InChIKey is CDRGKRMGLLTYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5/c1-3-29-25(27)10-8-21-7-9-24(20(2)17-21)31-19-22-5-4-6-23(18-22)30-16-13-26-11-14-28-15-12-26/h4-7,9,17-18H,3,8,10-16,19H2,1-2H3.
What are the key properties of ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate?
ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate has a molecular weight of 427.54 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 23136279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).