2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine

C36H72N4O15 — CID 160666387

IUPAC2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine
SMILESCC(=O)OCCN(CCC#N)CCOC(C)=O.COCCOCCOCCOCCN1CCOCC1.COCOCCN(CCOCOC)CCOCOC
InChIInChI=1S/C13H27NO5.C12H27NO6.C11H18N2O4/c1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;1-14-10-17-7-4-13(5-8-18-11-15-2)6-9-19-12-16-3;1-10(14)16-8-6-13(5-3-4-12)7-9-17-11(2)15/h2-13H2,1H3;4-12H2,1-3H3;3,5-9H2,1-2H3
InChIKeyRMIXJVMTGXMLMJ-UHFFFAOYSA-N
MW800.98 g/mol
LogP0.49
Rot. Bonds35

About 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine

2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine (PubChem CID 160666387) has the molecular formula C36H72N4O15 and a molecular weight of 800.98 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine
PubChem CID160666387
Molecular FormulaC36H72N4O15
Molecular Weight800.98 g/mol
Exact Mass800.50
IUPAC Name2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine
SMILESCC(=O)OCCN(CCC#N)CCOC(C)=O.COCCOCCOCCOCCN1CCOCC1.COCOCCN(CCOCOC)CCOCOC
InChIInChI=1S/C13H27NO5.C12H27NO6.C11H18N2O4/c1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;1-14-10-17-7-4-13(5-8-18-11-15-2)6-9-19-12-16-3;1-10(14)16-8-6-13(5-3-4-12)7-9-17-11(2)15/h2-13H2,1H3;4-12H2,1-3H3;3,5-9H2,1-2H3
InChIKeyRMIXJVMTGXMLMJ-UHFFFAOYSA-N
XLogP0.49
TPSA187.64 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.98
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
N-(2-cyanoethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 79156132
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
2-methoxyethyl 3-[[3-[2-[2-[2-[2-[3-[[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]-[3-(4-methylpiperazin-1-yl)propyl]amino]propanoate
CID 176880627
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
2-cyanoethyl acetate;ethane
CID 145130643
2-[2-(4-formylpiperazin-1-yl)ethoxy]ethyl acetate
CID 143019040

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The IUPAC name of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine (CID 160666387) is 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine.
What is the SMILES notation for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The canonical SMILES for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine is CC(=O)OCCN(CCC#N)CCOC(C)=O.COCCOCCOCCOCCN1CCOCC1.COCOCCN(CCOCOC)CCOCOC.
What is the InChIKey of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
The InChIKey is RMIXJVMTGXMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5.C12H27NO6.C11H18N2O4/c1-15-8-9-18-12-13-19-11-10-17-7-4-14-2-5-16-6-3-14;1-14-10-17-7-4-13(5-8-18-11-15-2)6-9-19-12-16-3;1-10(14)16-8-6-13(5-3-4-12)7-9-17-11(2)15/h2-13H2,1H3;4-12H2,1-3H3;3,5-9H2,1-2H3.
What are the key properties of 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine?
2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine has a molecular weight of 800.98 g/mol, XLogP of 0.49, 35 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(2-cyanoethyl)amino]ethyl acetate;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-(methoxymethoxy)-N,N-bis[2-(methoxymethoxy)ethyl]ethanamine is sourced from PubChem (CID 160666387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).