ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate

C16H23NO5 — CID 102567699

IUPACethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOC(COc2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO5/c1-3-20-16(18)11-17-8-9-21-15(10-17)12-22-14-6-4-13(19-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyWDISSMSIIAUDEN-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.34
Rot. Bonds7

About ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate

ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate (PubChem CID 102567699) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
PubChem CID102567699
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
SMILESCCOC(=O)CN1CCOC(COc2ccc(OC)cc2)C1
InChIInChI=1S/C16H23NO5/c1-3-20-16(18)11-17-8-9-21-15(10-17)12-22-14-6-4-13(19-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3
InChIKeyWDISSMSIIAUDEN-UHFFFAOYSA-N
XLogP1.34
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
ethyl 2-[(2S)-2-[(3,5-dimethylphenoxy)methyl]morpholin-4-yl]acetate
CID 99979655
methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979862
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979761

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate (CID 102567699) is ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate is CCOC(=O)CN1CCOC(COc2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate?
The InChIKey is WDISSMSIIAUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-3-20-16(18)11-17-8-9-21-15(10-17)12-22-14-6-4-13(19-2)5-7-14/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate?
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate has a molecular weight of 309.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate is sourced from PubChem (CID 102567699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).