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

C11H24N2O2 — CID 60781151

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

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

1,3-dibutyl-1-(2-hydroxyethyl)urea (PubChem CID 60781151) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,3-dibutyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1,3-dibutyl-1-(2-hydroxyethyl)urea
PubChem CID60781151
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1,3-dibutyl-1-(2-hydroxyethyl)urea
SMILESCCCCNC(=O)N(CCO)CCCC
InChIInChI=1S/C11H24N2O2/c1-3-5-7-12-11(15)13(9-10-14)8-6-4-2/h14H,3-10H2,1-2H3,(H,12,15)
InChIKeyLWFGPUZRNSBYOI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 1,3-dibutyl-1-(2-hydroxyethyl)urea (CID 60781151) is 1,3-dibutyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1,3-dibutyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1,3-dibutyl-1-(2-hydroxyethyl)urea is CCCCNC(=O)N(CCO)CCCC.
What is the InChIKey of 1,3-dibutyl-1-(2-hydroxyethyl)urea?
The InChIKey is LWFGPUZRNSBYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-7-12-11(15)13(9-10-14)8-6-4-2/h14H,3-10H2,1-2H3,(H,12,15).
What are the key properties of 1,3-dibutyl-1-(2-hydroxyethyl)urea?
1,3-dibutyl-1-(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 1,3-dibutyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 60781151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).