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

C6H14N2O3 — CID 22381262

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCO
InChIInChI=1S/C6H14N2O3/c1-7-6(10)8-2-4-11-5-3-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyQAGDHSSZTNHUML-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.08
Rot. Bonds5

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

1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea (PubChem CID 22381262) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea
PubChem CID22381262
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCCO
InChIInChI=1S/C6H14N2O3/c1-7-6(10)8-2-4-11-5-3-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKeyQAGDHSSZTNHUML-UHFFFAOYSA-N
XLogP-1.08
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-Ethyl-3-(2-hydroxyethyl)urea
CID 185685
N-[2-(2-Hydroxyethoxy)ethyl]formamide
CID 259621
4-Hydroxy-5-methoxyimidazolidin-2-one
CID 3023814
1-[2-(2-Hydroxyethoxy)ethyl]-3-(trifluoromethyl)urea
CID 108865956
1-[2-(2-Hydroxyethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115605709
n-(2-Hydroxyethyl)-n'-methylurea
CID 13415148
[2-Hydroxy-1-(2-hydroxyethoxy)ethyl]urea
CID 18380937
1,3-Bis(2-hydroxy-1-methoxyethyl)urea
CID 19611873
2-(2-Ethoxyethoxy)ethylurea
CID 22354062
1-Ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
CID 22381130

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea (CID 22381262) is 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea is CNC(=O)NCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea?
The InChIKey is QAGDHSSZTNHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-7-6(10)8-2-4-11-5-3-9/h9H,2-5H2,1H3,(H2,7,8,10).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea?
1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea has a molecular weight of 162.19 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-3-methylurea is sourced from PubChem (CID 22381262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).