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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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).