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

C11H24N2O5 — CID 90753094

IUPAC3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCNC(=O)N(CCOCCO)CCOCCO
InChIInChI=1S/C11H24N2O5/c1-2-12-11(16)13(3-7-17-9-5-14)4-8-18-10-6-15/h14-15H,2-10H2,1H3,(H,12,16)
InChIKeyZJHSLQDUZAJUSW-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.96
Rot. Bonds11

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

3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 90753094) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID90753094
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCNC(=O)N(CCOCCO)CCOCCO
InChIInChI=1S/C11H24N2O5/c1-2-12-11(16)13(3-7-17-9-5-14)4-8-18-10-6-15/h14-15H,2-10H2,1H3,(H,12,16)
InChIKeyZJHSLQDUZAJUSW-UHFFFAOYSA-N
XLogP-0.96
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Poly(oxy-1,2-ethanediyl), alpha-(2-((aminocarbonyl)amino)ethyl)-omega-hydroxy-
CID 22381326
1,3-Bis[2-(2-hydroxyethoxy)ethyl]urea
CID 54130249
1-(2-Hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 56793051
N-[1-acetamido-2-(2-ethoxyethoxy)ethyl]acetamide
CID 17810408
1,3-Bis(2-hydroxy-1-methoxyethyl)urea
CID 19611873
Dimethylcarbamoyl-[1-(2-hydroxyethoxy)-2-methoxyethyl]-dimethylazanium
CID 20185028
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 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea (CID 90753094) is 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea is CCNC(=O)N(CCOCCO)CCOCCO.
What is the InChIKey of 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is ZJHSLQDUZAJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5/c1-2-12-11(16)13(3-7-17-9-5-14)4-8-18-10-6-15/h14-15H,2-10H2,1H3,(H,12,16).
What are the key properties of 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea?
3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 264.32 g/mol, XLogP of -0.96, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-bis[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 90753094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).