1,1,3-tris(2-hydroxyethyl)urea

C7H16N2O4 — CID 11513910

IUPAC1,1,3-tris(2-hydroxyethyl)urea
SMILESO=C(NCCO)N(CCO)CCO
InChIInChI=1S/C7H16N2O4/c10-4-1-8-7(13)9(2-5-11)3-6-12/h10-12H,1-6H2,(H,8,13)
InChIKeyVKUPKRKGNSEUNN-UHFFFAOYSA-N
MW192.21 g/mol
LogP-2.03
Rot. Bonds6

About 1,1,3-tris(2-hydroxyethyl)urea

1,1,3-tris(2-hydroxyethyl)urea (PubChem CID 11513910) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1,1,3-tris(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1,1,3-tris(2-hydroxyethyl)urea
PubChem CID11513910
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1,1,3-tris(2-hydroxyethyl)urea
SMILESO=C(NCCO)N(CCO)CCO
InChIInChI=1S/C7H16N2O4/c10-4-1-8-7(13)9(2-5-11)3-6-12/h10-12H,1-6H2,(H,8,13)
InChIKeyVKUPKRKGNSEUNN-UHFFFAOYSA-N
XLogP-2.03
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(2-hydroxyethyl)urea?
The IUPAC name of 1,1,3-tris(2-hydroxyethyl)urea (CID 11513910) is 1,1,3-tris(2-hydroxyethyl)urea.
What is the SMILES notation for 1,1,3-tris(2-hydroxyethyl)urea?
The canonical SMILES for 1,1,3-tris(2-hydroxyethyl)urea is O=C(NCCO)N(CCO)CCO.
What is the InChIKey of 1,1,3-tris(2-hydroxyethyl)urea?
The InChIKey is VKUPKRKGNSEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4/c10-4-1-8-7(13)9(2-5-11)3-6-12/h10-12H,1-6H2,(H,8,13).
What are the key properties of 1,1,3-tris(2-hydroxyethyl)urea?
1,1,3-tris(2-hydroxyethyl)urea has a molecular weight of 192.21 g/mol, XLogP of -2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(2-hydroxyethyl)urea is sourced from PubChem (CID 11513910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).