N-[2-(2-azidoethoxy)ethyl]hexadecanamide

C20H40N4O2 — CID 141376233

IUPACN-[2-(2-azidoethoxy)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H40N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)22-16-18-26-19-17-23-24-21/h2-19H2,1H3,(H,22,25)
InChIKeyNRWHQHBZFSIEQB-UHFFFAOYSA-N
MW368.57 g/mol
LogP5.91
Rot. Bonds20

About N-[2-(2-azidoethoxy)ethyl]hexadecanamide

N-[2-(2-azidoethoxy)ethyl]hexadecanamide (PubChem CID 141376233) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is N-[2-(2-azidoethoxy)ethyl]hexadecanamide.

Molecular Properties

Compound NameN-[2-(2-azidoethoxy)ethyl]hexadecanamide
PubChem CID141376233
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC NameN-[2-(2-azidoethoxy)ethyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H40N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)22-16-18-26-19-17-23-24-21/h2-19H2,1H3,(H,22,25)
InChIKeyNRWHQHBZFSIEQB-UHFFFAOYSA-N
XLogP5.91
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-(hexadecanoylamino)-5-oxopentanoic acid
CID 118070907
(2S)-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 171735638
N-(4-azidobutyl)heptanamide
CID 106386394
tert-butyl 20-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoate
CID 167312669
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
N-(4-azidobutyl)hexanamide
CID 106386708
6-azido-N-[1,3-bis[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2-[[3-oxo-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propan-2-yl]hexanamide
CID 157098712
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
1-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;4-[[dimethyl-[4-oxo-4-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]butyl]silyl]oxy-dimethylsilyl]-N-methylbutanamide
CID 164979771
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azidoethoxy)ethyl]hexadecanamide?
The IUPAC name of N-[2-(2-azidoethoxy)ethyl]hexadecanamide (CID 141376233) is N-[2-(2-azidoethoxy)ethyl]hexadecanamide.
What is the SMILES notation for N-[2-(2-azidoethoxy)ethyl]hexadecanamide?
The canonical SMILES for N-[2-(2-azidoethoxy)ethyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCOCCN=[N+]=[N-].
What is the InChIKey of N-[2-(2-azidoethoxy)ethyl]hexadecanamide?
The InChIKey is NRWHQHBZFSIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)22-16-18-26-19-17-23-24-21/h2-19H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-azidoethoxy)ethyl]hexadecanamide?
N-[2-(2-azidoethoxy)ethyl]hexadecanamide has a molecular weight of 368.57 g/mol, XLogP of 5.91, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azidoethoxy)ethyl]hexadecanamide is sourced from PubChem (CID 141376233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).