3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide

C16H32N4O5 — CID 168855341

IUPAC3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C16H32N4O5/c1-16(2,3)14-18-15(21)4-6-22-8-10-24-12-13-25-11-9-23-7-5-19-20-17/h4-14H2,1-3H3,(H,18,21)
InChIKeyPEXSNEOPEQYSIB-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.92
Rot. Bonds16

About 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide

3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide (PubChem CID 168855341) has the molecular formula C16H32N4O5 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
PubChem CID168855341
Molecular FormulaC16H32N4O5
Molecular Weight360.46 g/mol
Exact Mass360.24
IUPAC Name3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C16H32N4O5/c1-16(2,3)14-18-15(21)4-6-22-8-10-24-12-13-25-11-9-23-7-5-19-20-17/h4-14H2,1-3H3,(H,18,21)
InChIKeyPEXSNEOPEQYSIB-UHFFFAOYSA-N
XLogP1.92
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.92
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-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide
CID 168855323
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
tert-butyl N-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 164702959
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
tert-butyl 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 172639391
3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-[2-[[3-(methylamino)-3-oxopropyl]disulfanyl]ethyl]propanamide
CID 118362426
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
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
tert-butyl 20-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoate
CID 167312669
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(10-cyclopentyldecyl)propanamide
CID 118282717
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[5-(diiodoamino)pentyl]propanamide
CID 90446025

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The IUPAC name of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide (CID 168855341) is 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide is CC(C)(C)CNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
The InChIKey is PEXSNEOPEQYSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O5/c1-16(2,3)14-18-15(21)4-6-22-8-10-24-12-13-25-11-9-23-7-5-19-20-17/h4-14H2,1-3H3,(H,18,21).
What are the key properties of 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide?
3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-(2,2-dimethylpropyl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.92, 16 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-(2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 168855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).