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

C9H20N2O5 — CID 88778352

IUPAC1,3-bis[2-(1-hydroxyethoxy)ethyl]urea
SMILESCC(O)OCCNC(=O)NCCOC(C)O
InChIInChI=1S/C9H20N2O5/c1-7(12)15-5-3-10-9(14)11-4-6-16-8(2)13/h7-8,12-13H,3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLHDFAQJYFSSKNE-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.00
Rot. Bonds8

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

1,3-bis[2-(1-hydroxyethoxy)ethyl]urea (PubChem CID 88778352) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(1-hydroxyethoxy)ethyl]urea
PubChem CID88778352
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name1,3-bis[2-(1-hydroxyethoxy)ethyl]urea
SMILESCC(O)OCCNC(=O)NCCOC(C)O
InChIInChI=1S/C9H20N2O5/c1-7(12)15-5-3-10-9(14)11-4-6-16-8(2)13/h7-8,12-13H,3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLHDFAQJYFSSKNE-UHFFFAOYSA-N
XLogP-1.00
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea (CID 88778352) is 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea is CC(O)OCCNC(=O)NCCOC(C)O.
What is the InChIKey of 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea?
The InChIKey is LHDFAQJYFSSKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5/c1-7(12)15-5-3-10-9(14)11-4-6-16-8(2)13/h7-8,12-13H,3-6H2,1-2H3,(H2,10,11,14).
What are the key properties of 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea?
1,3-bis[2-(1-hydroxyethoxy)ethyl]urea has a molecular weight of 236.27 g/mol, XLogP of -1.00, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(1-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 88778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).