tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide

C45H86N4O19 — CID 159054491

IUPACtris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide
SMILESCCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(C)=O
InChIInChI=1S/3C12H23NO5.C9H17NO4/c3*1-3-17-7-8-18-10-12(15)13-9-11(14)5-4-6-16-2;1-3-13-4-5-14-7-9(12)10-6-8(2)11/h3*3-10H2,1-2H3,(H,13,15);3-7H2,1-2H3,(H,10,12)
InChIKeyJXRMASOXUJYBIN-UHFFFAOYSA-N
MW987.19 g/mol
LogP0.20
Rot. Bonds44

About tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide

tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide (PubChem CID 159054491) has the molecular formula C45H86N4O19 and a molecular weight of 987.19 g/mol. Its IUPAC name is tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Nametris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide
PubChem CID159054491
Molecular FormulaC45H86N4O19
Molecular Weight987.19 g/mol
Exact Mass986.59
IUPAC Nametris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide
SMILESCCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(C)=O
InChIInChI=1S/3C12H23NO5.C9H17NO4/c3*1-3-17-7-8-18-10-12(15)13-9-11(14)5-4-6-16-2;1-3-13-4-5-14-7-9(12)10-6-8(2)11/h3*3-10H2,1-2H3,(H,13,15);3-7H2,1-2H3,(H,10,12)
InChIKeyJXRMASOXUJYBIN-UHFFFAOYSA-N
XLogP0.20
TPSA286.21 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.19
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-methoxyethoxy)acetyl]amino]acetate
CID 43431221
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
CID 58143519
2-[2-(4-oxoheptoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 58214492
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
methyl 2-[[2-[2-[5-(2-oxopropoxy)pentoxy]ethoxy]acetyl]amino]acetate
CID 126628431
N-(2-oxopentyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]acetamide
CID 178003832
3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl-[4-[[6-(2-ethoxyethoxy)-5-oxohexyl]-dimethylazaniumyl]butyl]-dimethylazanium;methane
CID 161001261
2-(2-methoxyethoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628176
2-(2-ethoxyethoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430415

Frequently Asked Questions

What is the IUPAC name of tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide?
The IUPAC name of tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide (CID 159054491) is tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide.
What is the SMILES notation for tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide?
The canonical SMILES for tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide is CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(=O)CCCOC.CCOCCOCC(=O)NCC(C)=O.
What is the InChIKey of tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide?
The InChIKey is JXRMASOXUJYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H23NO5.C9H17NO4/c3*1-3-17-7-8-18-10-12(15)13-9-11(14)5-4-6-16-2;1-3-13-4-5-14-7-9(12)10-6-8(2)11/h3*3-10H2,1-2H3,(H,13,15);3-7H2,1-2H3,(H,10,12).
What are the key properties of tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide?
tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide has a molecular weight of 987.19 g/mol, XLogP of 0.20, 44 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-(2-ethoxyethoxy)-N-(5-methoxy-2-oxopentyl)acetamide);2-(2-ethoxyethoxy)-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 159054491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).