1,3-bis(2-hydroxypropyl)urea

C7H16N2O3 — CID 11229093

IUPAC1,3-bis(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCC(C)O
InChIInChI=1S/C7H16N2O3/c1-5(10)3-8-7(12)9-4-6(2)11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyUBZFJRDOTBGVAY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.95
Rot. Bonds4

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

1,3-bis(2-hydroxypropyl)urea (PubChem CID 11229093) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,3-bis(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1,3-bis(2-hydroxypropyl)urea
PubChem CID11229093
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1,3-bis(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NCC(C)O
InChIInChI=1S/C7H16N2O3/c1-5(10)3-8-7(12)9-4-6(2)11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12)
InChIKeyUBZFJRDOTBGVAY-UHFFFAOYSA-N
XLogP-0.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(2-hydroxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxypropyl)urea?
The IUPAC name of 1,3-bis(2-hydroxypropyl)urea (CID 11229093) is 1,3-bis(2-hydroxypropyl)urea.
What is the SMILES notation for 1,3-bis(2-hydroxypropyl)urea?
The canonical SMILES for 1,3-bis(2-hydroxypropyl)urea is CC(O)CNC(=O)NCC(C)O.
What is the InChIKey of 1,3-bis(2-hydroxypropyl)urea?
The InChIKey is UBZFJRDOTBGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(10)3-8-7(12)9-4-6(2)11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,9,12).
What are the key properties of 1,3-bis(2-hydroxypropyl)urea?
1,3-bis(2-hydroxypropyl)urea has a molecular weight of 176.22 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxypropyl)urea is sourced from PubChem (CID 11229093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).