ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate

C15H27NO5 — CID 79827518

IUPACethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C15H27NO5/c1-3-20-14(17)7-5-4-6-8-16-9-10-21-13(12-16)11-15(18)19-2/h13H,3-12H2,1-2H3
InChIKeyUAFBJVNHVZIPKT-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.37
Rot. Bonds9

About ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate

ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate (PubChem CID 79827518) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
PubChem CID79827518
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nameethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCOC(CC(=O)OC)C1
InChIInChI=1S/C15H27NO5/c1-3-20-14(17)7-5-4-6-8-16-9-10-21-13(12-16)11-15(18)19-2/h13H,3-12H2,1-2H3
InChIKeyUAFBJVNHVZIPKT-UHFFFAOYSA-N
XLogP1.37
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
CID 59448013
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
CID 79823047
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate?
The IUPAC name of ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate (CID 79827518) is ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate.
What is the SMILES notation for ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate?
The canonical SMILES for ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate is CCOC(=O)CCCCCN1CCOC(CC(=O)OC)C1.
What is the InChIKey of ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate?
The InChIKey is UAFBJVNHVZIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-3-20-14(17)7-5-4-6-8-16-9-10-21-13(12-16)11-15(18)19-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate?
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate has a molecular weight of 301.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate is sourced from PubChem (CID 79827518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).