3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide

C26H50N4O5 — CID 118282717

IUPAC3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC1CCCC1
InChIInChI=1S/C26H50N4O5/c27-30-29-16-18-33-20-22-35-24-23-34-21-19-32-17-14-26(31)28-15-10-6-4-2-1-3-5-7-11-25-12-8-9-13-25/h25H,1-24H2,(H,28,31)
InChIKeyALLBTCIKRFAXSV-UHFFFAOYSA-N
MW498.71 g/mol
LogP5.57
Rot. Bonds26

About 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide

3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide (PubChem CID 118282717) has the molecular formula C26H50N4O5 and a molecular weight of 498.71 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide
PubChem CID118282717
Molecular FormulaC26H50N4O5
Molecular Weight498.71 g/mol
Exact Mass498.38
IUPAC Name3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC1CCCC1
InChIInChI=1S/C26H50N4O5/c27-30-29-16-18-33-20-22-35-24-23-34-21-19-32-17-14-26(31)28-15-10-6-4-2-1-3-5-7-11-25-12-8-9-13-25/h25H,1-24H2,(H,28,31)
InChIKeyALLBTCIKRFAXSV-UHFFFAOYSA-N
XLogP5.57
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[5-(diiodoamino)pentyl]propanamide
CID 90446025
tris[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]-hydroxyphosphanium
CID 170560241
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-[3-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanamide
CID 99713872
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855341
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]propanamide;tris(2,2,2-trifluoroacetic acid)
CID 175696123
N-[2-(2-azidoethoxy)ethyl]-5-(dithiolan-3-yl)pentanamide
CID 138655599
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
N-(3-aminopropyl)-3-[2,2-bis[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]-3-azidopropoxy]propanamide
CID 170227083
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-[[3-(methylamino)-3-oxopropyl]disulfanyl]ethyl]propanamide
CID 118362426
4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide?
The IUPAC name of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide (CID 118282717) is 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide is [N-]=[N+]=NCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC1CCCC1.
What is the InChIKey of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide?
The InChIKey is ALLBTCIKRFAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O5/c27-30-29-16-18-33-20-22-35-24-23-34-21-19-32-17-14-26(31)28-15-10-6-4-2-1-3-5-7-11-25-12-8-9-13-25/h25H,1-24H2,(H,28,31).
What are the key properties of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide?
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide has a molecular weight of 498.71 g/mol, XLogP of 5.57, 26 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide is sourced from PubChem (CID 118282717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).