1,3-bis[2-(2-hydroxyethoxy)ethyl]urea

C9H20N2O5 — CID 54130249

IUPAC1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NCCOCCO
InChIInChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)
InChIKeyNTVMILOZMRGPCB-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.70
Rot. Bonds10

About 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea

1,3-bis[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 54130249) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID54130249
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NCCOCCO
InChIInChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)
InChIKeyNTVMILOZMRGPCB-UHFFFAOYSA-N
XLogP-1.70
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Urea, N,N'-bis(1-hydroxy-2,2-dimethoxyethyl)-
CID 14323483
Poly(oxy-1,2-ethanediyl), alpha-(2-((aminocarbonyl)amino)ethyl)-omega-hydroxy-
CID 22381326
1-[2-(2-Hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
CID 108865956
1-[2-(2-Hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115605709
[2-Hydroxy-1-(2-hydroxyethoxy)ethyl]urea
CID 18380937
1,3-Bis(2-hydroxy-1-methoxyethyl)urea
CID 19611873
1,3-Bis[1-(2-hydroxyethoxy)ethyl]urea
CID 20348997
1-Ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
CID 22381130
1-Ethyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
CID 22381163
1-Ethyl-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]urea
CID 22381175
1-Butyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
CID 22381209
1-[2-(2-Hydroxyethoxy)ethyl]-3-methylurea
CID 22381262

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea (CID 54130249) is 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea is O=C(NCCOCCO)NCCOCCO.
What is the InChIKey of 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is NTVMILOZMRGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14).
What are the key properties of 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea?
1,3-bis[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 236.27 g/mol, XLogP of -1.70, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 54130249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).