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

C11H24N2O2 — CID 87352405

IUPAC1,1-dibutyl-3-(2-hydroxyethyl)urea
SMILESCCCCN(CCCC)C(=O)NCCO
InChIInChI=1S/C11H24N2O2/c1-3-5-8-13(9-6-4-2)11(15)12-7-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyXOIAIDITJQAORS-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.59
Rot. Bonds8

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

1,1-dibutyl-3-(2-hydroxyethyl)urea (PubChem CID 87352405) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1-dibutyl-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(2-hydroxyethyl)urea
PubChem CID87352405
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1,1-dibutyl-3-(2-hydroxyethyl)urea
SMILESCCCCN(CCCC)C(=O)NCCO
InChIInChI=1S/C11H24N2O2/c1-3-5-8-13(9-6-4-2)11(15)12-7-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyXOIAIDITJQAORS-UHFFFAOYSA-N
XLogP1.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-dibutyl-3-(2-hydroxyethyl)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 1,1-dibutyl-3-(2-hydroxyethyl)urea?
The IUPAC name of 1,1-dibutyl-3-(2-hydroxyethyl)urea (CID 87352405) is 1,1-dibutyl-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(2-hydroxyethyl)urea is CCCCN(CCCC)C(=O)NCCO.
What is the InChIKey of 1,1-dibutyl-3-(2-hydroxyethyl)urea?
The InChIKey is XOIAIDITJQAORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-8-13(9-6-4-2)11(15)12-7-10-14/h14H,3-10H2,1-2H3,(H,12,15).
What are the key properties of 1,1-dibutyl-3-(2-hydroxyethyl)urea?
1,1-dibutyl-3-(2-hydroxyethyl)urea has a molecular weight of 216.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 87352405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).