1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea

C8H18N2O4 — CID 22381272

IUPAC1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCOCCO
InChIInChI=1S/C8H18N2O4/c1-9-8(12)10-2-4-13-6-7-14-5-3-11/h11H,2-7H2,1H3,(H2,9,10,12)
InChIKeyJRNHRQDLFGHENT-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.06
Rot. Bonds8

About 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea (PubChem CID 22381272) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea
PubChem CID22381272
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCOCCO
InChIInChI=1S/C8H18N2O4/c1-9-8(12)10-2-4-13-6-7-14-5-3-11/h11H,2-7H2,1H3,(H2,9,10,12)
InChIKeyJRNHRQDLFGHENT-UHFFFAOYSA-N
XLogP-1.06
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
1,3-Bis[2-(2-hydroxyethoxy)ethyl]urea
CID 54130249
[2-Hydroxy-1-(2-hydroxyethoxy)ethyl]urea
CID 18380937
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
2-(2-Ethoxyethoxy)ethylurea
CID 22354062
1-Ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
CID 22381130
1-Ethyl-3-[2-[2-(methylamino)ethoxy]ethyl]urea
CID 22381146
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea?
The IUPAC name of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea (CID 22381272) is 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea?
The canonical SMILES for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea is CNC(=O)NCCOCCOCCO.
What is the InChIKey of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea?
The InChIKey is JRNHRQDLFGHENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-9-8(12)10-2-4-13-6-7-14-5-3-11/h11H,2-7H2,1H3,(H2,9,10,12).
What are the key properties of 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea?
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea has a molecular weight of 206.24 g/mol, XLogP of -1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3-methylurea is sourced from PubChem (CID 22381272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).