2-(2-hydroxyethoxy)ethylurea

C5H12N2O3 — CID 22381326

IUPAC2-(2-hydroxyethoxy)ethylurea
SMILESNC(=O)NCCOCCO
InChIInChI=1S/C5H12N2O3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H3,6,7,9)
InChIKeyCDKJRDWXEROWDG-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.34
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethylurea

2-(2-hydroxyethoxy)ethylurea (PubChem CID 22381326) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethylurea.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethylurea
PubChem CID22381326
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2-(2-hydroxyethoxy)ethylurea
SMILESNC(=O)NCCOCCO
InChIInChI=1S/C5H12N2O3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H3,6,7,9)
InChIKeyCDKJRDWXEROWDG-UHFFFAOYSA-N
XLogP-1.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.34
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

1,3-Bis[2-(2-hydroxyethoxy)ethyl]urea
CID 54130249
N-[2-(2-Hydroxyethoxy)ethyl]formamide
CID 259621
N-[2-(2-hydroxyethoxy)ethyl]carbamoyl fluoride
CID 123334431
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
1,2-Dihydroxyethylurea
CID 18380938
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]formamide
CID 18445428
1,3-Bis(2-hydroxy-1-methoxyethyl)urea
CID 19611873
2-(2-Ethoxyethoxy)ethylurea
CID 22354062
1-Ethyl-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]urea
CID 22381163
1-[2-(2-Hydroxyethoxy)ethyl]-3-methylurea
CID 22381262

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethylurea?
The IUPAC name of 2-(2-hydroxyethoxy)ethylurea (CID 22381326) is 2-(2-hydroxyethoxy)ethylurea.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethylurea?
The canonical SMILES for 2-(2-hydroxyethoxy)ethylurea is NC(=O)NCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethylurea?
The InChIKey is CDKJRDWXEROWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c6-5(9)7-1-3-10-4-2-8/h8H,1-4H2,(H3,6,7,9).
What are the key properties of 2-(2-hydroxyethoxy)ethylurea?
2-(2-hydroxyethoxy)ethylurea has a molecular weight of 148.16 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethylurea is sourced from PubChem (CID 22381326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).