ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate

C14H27NO5 — CID 151749760

IUPACethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOCCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C14H27NO5/c1-4-18-12-11-15(9-7-13(16)19-5-2)10-8-14(17)20-6-3/h4-12H2,1-3H3
InChIKeyROGSMRYRQXSHCR-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.23
Rot. Bonds12

About ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate

ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (PubChem CID 151749760) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
PubChem CID151749760
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nameethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOCCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C14H27NO5/c1-4-18-12-11-15(9-7-13(16)19-5-2)10-8-14(17)20-6-3/h4-12H2,1-3H3
InChIKeyROGSMRYRQXSHCR-UHFFFAOYSA-N
XLogP1.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.23
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

ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 134432792
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate
CID 156821479
ethyl 3-[(3-ethoxy-3-oxopropyl)-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl]amino]propanoate
CID 154659479
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (CID 151749760) is ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is CCOCCN(CCC(=O)OCC)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The InChIKey is ROGSMRYRQXSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-4-18-12-11-15(9-7-13(16)19-5-2)10-8-14(17)20-6-3/h4-12H2,1-3H3.
What are the key properties of ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate has a molecular weight of 289.37 g/mol, XLogP of 1.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 151749760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).