ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate

C13H27NO4 — CID 123274315

IUPACethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate
SMILESCCOCNC(C)CCC(C)OCC(=O)OCC
InChIInChI=1S/C13H27NO4/c1-5-16-10-14-11(3)7-8-12(4)18-9-13(15)17-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyMQADFLNFZPWPMT-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.71
Rot. Bonds11

About ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate

ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate (PubChem CID 123274315) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate
PubChem CID123274315
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nameethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate
SMILESCCOCNC(C)CCC(C)OCC(=O)OCC
InChIInChI=1S/C13H27NO4/c1-5-16-10-14-11(3)7-8-12(4)18-9-13(15)17-6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyMQADFLNFZPWPMT-UHFFFAOYSA-N
XLogP1.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-propan-2-yloxyacetate
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CID 172843337
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ethyl 2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyacetate
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ethyl 2-(2-oxo-2-pentan-2-yloxyethoxy)acetate
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ethyl 2-(2-propan-2-yloxyethoxy)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate?
The IUPAC name of ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate (CID 123274315) is ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate.
What is the SMILES notation for ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate?
The canonical SMILES for ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate is CCOCNC(C)CCC(C)OCC(=O)OCC.
What is the InChIKey of ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate?
The InChIKey is MQADFLNFZPWPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-16-10-14-11(3)7-8-12(4)18-9-13(15)17-6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate?
ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate has a molecular weight of 261.36 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(ethoxymethylamino)hexan-2-yloxy]acetate is sourced from PubChem (CID 123274315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).