3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide

C37H74N4O18 — CID 163953950

IUPAC3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESNC(COCCC(=O)NCCOCCOCCOCCO)(COCCC(=O)NCCOCCOCCOCCO)COCCC(=O)NCCOCCOCCOCCO
InChIInChI=1S/C37H74N4O18/c38-37(31-57-10-1-34(45)39-4-13-48-19-25-54-28-22-51-16-7-42,32-58-11-2-35(46)40-5-14-49-20-26-55-29-23-52-17-8-43)33-59-12-3-36(47)41-6-15-50-21-27-56-30-24-53-18-9-44/h42-44H,1-33,38H2,(H,39,45)(H,40,46)(H,41,47)
InChIKeySBSIXIHITJUBDU-UHFFFAOYSA-N
MW863.01 g/mol
LogP-3.62
Rot. Bonds48

About 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide

3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 163953950) has the molecular formula C37H74N4O18 and a molecular weight of 863.01 g/mol. Its IUPAC name is 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
PubChem CID163953950
Molecular FormulaC37H74N4O18
Molecular Weight863.01 g/mol
Exact Mass862.50
IUPAC Name3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide
SMILESNC(COCCC(=O)NCCOCCOCCOCCO)(COCCC(=O)NCCOCCOCCOCCO)COCCC(=O)NCCOCCOCCOCCO
InChIInChI=1S/C37H74N4O18/c38-37(31-57-10-1-34(45)39-4-13-48-19-25-54-28-22-51-16-7-42,32-58-11-2-35(46)40-5-14-49-20-26-55-29-23-52-17-8-43)33-59-12-3-36(47)41-6-15-50-21-27-56-30-24-53-18-9-44/h42-44H,1-33,38H2,(H,39,45)(H,40,46)(H,41,47)
InChIKeySBSIXIHITJUBDU-UHFFFAOYSA-N
XLogP-3.62
TPSA284.77 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds48
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.01
LogP ≤ 5-3.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide with MolForge

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-[2-(2-aminoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-aminoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]propanamide
CID 166997918
3-[2-amino-3-[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propoxy]propanamide
CID 138730756
N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
3-[2-acetamido-2-[[3-[2-(2-hydroxyethoxy)ethylamino]-3-oxopropoxy]methyl]-3-(3-oxopropoxy)propoxy]-N-[2-(2-hydroxyethoxy)ethyl]propanamide;methanamine
CID 166534435
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide (CID 163953950) is 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide is NC(COCCC(=O)NCCOCCOCCOCCO)(COCCC(=O)NCCOCCOCCOCCO)COCCC(=O)NCCOCCOCCOCCO.
What is the InChIKey of 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is SBSIXIHITJUBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H74N4O18/c38-37(31-57-10-1-34(45)39-4-13-48-19-25-54-28-22-51-16-7-42,32-58-11-2-35(46)40-5-14-49-20-26-55-29-23-52-17-8-43)33-59-12-3-36(47)41-6-15-50-21-27-56-30-24-53-18-9-44/h42-44H,1-33,38H2,(H,39,45)(H,40,46)(H,41,47).
What are the key properties of 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide?
3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 863.01 g/mol, XLogP of -3.62, 48 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propoxy]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 163953950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).