ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate

C18H27NO5 — CID 19384713

IUPACethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
SMILESCCOC(=O)CCCCCN(C)C(=O)COc1ccccc1OC
InChIInChI=1S/C18H27NO5/c1-4-23-18(21)12-6-5-9-13-19(2)17(20)14-24-16-11-8-7-10-15(16)22-3/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyHGDFYTTZNREEHM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds11

About ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate

ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate (PubChem CID 19384713) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
PubChem CID19384713
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate
SMILESCCOC(=O)CCCCCN(C)C(=O)COc1ccccc1OC
InChIInChI=1S/C18H27NO5/c1-4-23-18(21)12-6-5-9-13-19(2)17(20)14-24-16-11-8-7-10-15(16)22-3/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyHGDFYTTZNREEHM-UHFFFAOYSA-N
XLogP2.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
ethyl 7-(dimethylamino)heptanoate
CID 170069476
N-(3-amino-2,2-dimethylpropyl)-2-(2-methoxyphenoxy)-N-methylacetamide
CID 119652382
2-(2-chlorophenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202077
ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate
CID 24727690
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
2-(2-methoxyphenoxy)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;phosphoric acid
CID 134110040
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate?
The IUPAC name of ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate (CID 19384713) is ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate.
What is the SMILES notation for ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate?
The canonical SMILES for ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate is CCOC(=O)CCCCCN(C)C(=O)COc1ccccc1OC.
What is the InChIKey of ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate?
The InChIKey is HGDFYTTZNREEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-4-23-18(21)12-6-5-9-13-19(2)17(20)14-24-16-11-8-7-10-15(16)22-3/h7-8,10-11H,4-6,9,12-14H2,1-3H3.
What are the key properties of ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate?
ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate has a molecular weight of 337.42 g/mol, XLogP of 2.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(2-methoxyphenoxy)acetyl]-methylamino]hexanoate is sourced from PubChem (CID 19384713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).