3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea

C9H20N2O4 — CID 11550311

IUPAC3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CC(C)O)C(=O)NCCO
InChIInChI=1S/C9H20N2O4/c1-7(13)5-11(6-8(2)14)9(15)10-3-4-12/h7-8,12-14H,3-6H2,1-2H3,(H,10,15)
InChIKeyAWNNECGZCPBURJ-UHFFFAOYSA-N
MW220.27 g/mol
LogP-1.25
Rot. Bonds6

About 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea

3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea (PubChem CID 11550311) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea
PubChem CID11550311
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CC(C)O)C(=O)NCCO
InChIInChI=1S/C9H20N2O4/c1-7(13)5-11(6-8(2)14)9(15)10-3-4-12/h7-8,12-14H,3-6H2,1-2H3,(H,10,15)
InChIKeyAWNNECGZCPBURJ-UHFFFAOYSA-N
XLogP-1.25
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea?
The IUPAC name of 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea (CID 11550311) is 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea?
The canonical SMILES for 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea is CC(O)CN(CC(C)O)C(=O)NCCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea?
The InChIKey is AWNNECGZCPBURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-7(13)5-11(6-8(2)14)9(15)10-3-4-12/h7-8,12-14H,3-6H2,1-2H3,(H,10,15).
What are the key properties of 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea?
3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea has a molecular weight of 220.27 g/mol, XLogP of -1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,1-bis(2-hydroxypropyl)urea is sourced from PubChem (CID 11550311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).