hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide

C285H523NO60 — CID 157129322

IUPAChexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
SMILESCCC(=O)CCCCCCCCC(=O)NCCOCCOCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O
InChIInChI=1S/6C25H46O5.5C23H42O5.C20H37NO5/c6*1-3-24(27)17-14-19-29-21-22-30-20-18-25(28)16-13-11-9-7-5-4-6-8-10-12-15-23(2)26;5*1-3-22(25)15-12-17-27-19-20-28-18-16-23(26)14-11-9-7-5-4-6-8-10-13-21(2)24;1-3-19(23)10-8-6-4-5-7-9-11-20(24)21-13-15-26-17-16-25-14-12-18(2)22/h6*3-22H2,1-2H3;5*3-20H2,1-2H3;3-17H2,1-2H3,(H,21,24)
InChIKeyAIWJBGLKIOKUDK-UHFFFAOYSA-N
MW4924.27 g/mol
LogP65.41
Rot. Bonds273

About hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide

hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide (PubChem CID 157129322) has the molecular formula C285H523NO60 and a molecular weight of 4924.27 g/mol. Its IUPAC name is hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide.

Molecular Properties

Compound Namehexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
PubChem CID157129322
Molecular FormulaC285H523NO60
Molecular Weight4924.27 g/mol
Exact Mass4920.79
IUPAC Namehexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
SMILESCCC(=O)CCCCCCCCC(=O)NCCOCCOCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O
InChIInChI=1S/6C25H46O5.5C23H42O5.C20H37NO5/c6*1-3-24(27)17-14-19-29-21-22-30-20-18-25(28)16-13-11-9-7-5-4-6-8-10-12-15-23(2)26;5*1-3-22(25)15-12-17-27-19-20-28-18-16-23(26)14-11-9-7-5-4-6-8-10-13-21(2)24;1-3-19(23)10-8-6-4-5-7-9-11-20(24)21-13-15-26-17-16-25-14-12-18(2)22/h6*3-22H2,1-2H3;5*3-20H2,1-2H3;3-17H2,1-2H3,(H,21,24)
InChIKeyAIWJBGLKIOKUDK-UHFFFAOYSA-N
XLogP65.41
TPSA848.07 Ų
H-Bond Donors1
H-Bond Acceptors60
Rotatable Bonds273
Heavy Atoms346
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004924.27
LogP ≤ 565.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide with MolForge

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Related Compounds

6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710
decan-3-one;N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]propanamide;6-(2-propoxyethoxy)hexan-3-one;tridecan-3-one;undecane;undecan-3-one
CID 163571556
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-6-oxooctanamide
CID 162766798
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-[2-[2-(2,8-dioxodecoxy)ethoxy]ethyl]propanamide
CID 58079400
3-(methylamino)-N-[2-[2-[2-(3-oxopentoxy)ethoxy]ethoxy]ethyl]propanamide
CID 146602613
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[4-oxo-6-[3-[3-oxo-3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]hexoxy]ethoxy]ethoxy]propanoate;8-[3-[3-[3-oxo-3-(8-oxononylamino)propoxy]propoxy]propanoylamino]octanoic acid;8-[8-[3-[3-(3,12,21-trioxodocosoxy)propoxy]propanoylamino]octanoylamino]octanoic acid
CID 159358371
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977

Frequently Asked Questions

What is the IUPAC name of hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide?
The IUPAC name of hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide (CID 157129322) is hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide.
What is the SMILES notation for hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide?
The canonical SMILES for hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide is CCC(=O)CCCCCCCCC(=O)NCCOCCOCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.CCC(=O)CCCOCCOCCC(=O)CCCCCCCCCCCCC(C)=O.
What is the InChIKey of hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide?
The InChIKey is AIWJBGLKIOKUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C25H46O5.5C23H42O5.C20H37NO5/c6*1-3-24(27)17-14-19-29-21-22-30-20-18-25(28)16-13-11-9-7-5-4-6-8-10-12-15-23(2)26;5*1-3-22(25)15-12-17-27-19-20-28-18-16-23(26)14-11-9-7-5-4-6-8-10-13-21(2)24;1-3-19(23)10-8-6-4-5-7-9-11-20(24)21-13-15-26-17-16-25-14-12-18(2)22/h6*3-22H2,1-2H3;5*3-20H2,1-2H3;3-17H2,1-2H3,(H,21,24).
What are the key properties of hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide?
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide has a molecular weight of 4924.27 g/mol, XLogP of 65.41, 273 rotatable bonds, 1 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide is sourced from PubChem (CID 157129322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).