ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide

C41H85N3O15 — CID 177221839

IUPACethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide
SMILESCC.CC.CCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)OCCC(=O)NCCOCCOCCOCC
InChIInChI=1S/C37H73N3O15.2C2H6/c1-4-13-46-24-28-52-31-27-48-18-11-39-36(42)8-15-54-33-34(55-16-9-37(43)40-12-19-49-26-30-51-23-21-45-6-3)32-53-14-7-35(41)38-10-17-47-25-29-50-22-20-44-5-2;2*1-2/h34H,4-33H2,1-3H3,(H,38,41)(H,39,42)(H,40,43);2*1-2H3
InChIKeyWKDBORPIDLBODD-UHFFFAOYSA-N
MW860.14 g/mol
LogP2.58
Rot. Bonds45

About ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide

ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide (PubChem CID 177221839) has the molecular formula C41H85N3O15 and a molecular weight of 860.14 g/mol. Its IUPAC name is ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide.

Molecular Properties

Compound Nameethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide
PubChem CID177221839
Molecular FormulaC41H85N3O15
Molecular Weight860.14 g/mol
Exact Mass859.60
IUPAC Nameethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide
SMILESCC.CC.CCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)OCCC(=O)NCCOCCOCCOCC
InChIInChI=1S/C37H73N3O15.2C2H6/c1-4-13-46-24-28-52-31-27-48-18-11-39-36(42)8-15-54-33-34(55-16-9-37(43)40-12-19-49-26-30-51-23-21-45-6-3)32-53-14-7-35(41)38-10-17-47-25-29-50-22-20-44-5-2;2*1-2/h34H,4-33H2,1-3H3,(H,38,41)(H,39,42)(H,40,43);2*1-2H3
InChIKeyWKDBORPIDLBODD-UHFFFAOYSA-N
XLogP2.58
TPSA198.06 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds45
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.14
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide with MolForge

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Related Compounds

N-[1,3-bis[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]propan-2-yl]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanamide;ethane;methane;molecular hydrogen
CID 168986443
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
ethane;(3-propoxypropanoylamino)methylmercury
CID 166157838

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide?
The IUPAC name of ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide (CID 177221839) is ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide.
What is the SMILES notation for ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide?
The canonical SMILES for ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide is CC.CC.CCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCC)OCCC(=O)NCCOCCOCCOCC.
What is the InChIKey of ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide?
The InChIKey is WKDBORPIDLBODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N3O15.2C2H6/c1-4-13-46-24-28-52-31-27-48-18-11-39-36(42)8-15-54-33-34(55-16-9-37(43)40-12-19-49-26-30-51-23-21-45-6-3)32-53-14-7-35(41)38-10-17-47-25-29-50-22-20-44-5-2;2*1-2/h34H,4-33H2,1-3H3,(H,38,41)(H,39,42)(H,40,43);2*1-2H3.
What are the key properties of ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide?
ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide has a molecular weight of 860.14 g/mol, XLogP of 2.58, 45 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide is sourced from PubChem (CID 177221839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).