3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol

C21H28N4O3 — CID 162489627

IUPAC3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
SMILES[N-]=[N+]=NCCOCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N4O3/c22-24-23-11-12-27-13-14-28-18-21(17-26)25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21,26H,11-18H2
InChIKeyYRPLCFAHSHXHQA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.39
Rot. Bonds14

About 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol

3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol (PubChem CID 162489627) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
PubChem CID162489627
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
SMILES[N-]=[N+]=NCCOCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N4O3/c22-24-23-11-12-27-13-14-28-18-21(17-26)25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21,26H,11-18H2
InChIKeyYRPLCFAHSHXHQA-UHFFFAOYSA-N
XLogP3.39
TPSA90.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
3-butoxy-2-(dibenzylamino)propan-1-ol
CID 163833677
2-azidoethoxymethylbenzene
CID 11116596
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl-diphenylmethyl]benzene
CID 138491924
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 10940805
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 75535108
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol?
The IUPAC name of 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol (CID 162489627) is 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol.
What is the SMILES notation for 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol?
The canonical SMILES for 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol is [N-]=[N+]=NCCOCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol?
The InChIKey is YRPLCFAHSHXHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c22-24-23-11-12-27-13-14-28-18-21(17-26)25(15-19-7-3-1-4-8-19)16-20-9-5-2-6-10-20/h1-10,21,26H,11-18H2.
What are the key properties of 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol?
3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol has a molecular weight of 384.48 g/mol, XLogP of 3.39, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol is sourced from PubChem (CID 162489627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).