1,1-dibutyl-3-ethylurea

C11H24N2O — CID 3040358

IUPAC1,1-dibutyl-3-ethylurea
SMILESCCCCN(CCCC)C(=O)NCC
InChIInChI=1S/C11H24N2O/c1-4-7-9-13(10-8-5-2)11(14)12-6-3/h4-10H2,1-3H3,(H,12,14)
InChIKeyRIYAGGMGJVGXPG-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds7

About 1,1-dibutyl-3-ethylurea

1,1-dibutyl-3-ethylurea (PubChem CID 3040358) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-dibutyl-3-ethylurea.

Molecular Properties

Compound Name1,1-dibutyl-3-ethylurea
PubChem CID3040358
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,1-dibutyl-3-ethylurea
SMILESCCCCN(CCCC)C(=O)NCC
InChIInChI=1S/C11H24N2O/c1-4-7-9-13(10-8-5-2)11(14)12-6-3/h4-10H2,1-3H3,(H,12,14)
InChIKeyRIYAGGMGJVGXPG-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-ethylurea?
The IUPAC name of 1,1-dibutyl-3-ethylurea (CID 3040358) is 1,1-dibutyl-3-ethylurea.
What is the SMILES notation for 1,1-dibutyl-3-ethylurea?
The canonical SMILES for 1,1-dibutyl-3-ethylurea is CCCCN(CCCC)C(=O)NCC.
What is the InChIKey of 1,1-dibutyl-3-ethylurea?
The InChIKey is RIYAGGMGJVGXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-7-9-13(10-8-5-2)11(14)12-6-3/h4-10H2,1-3H3,(H,12,14).
What are the key properties of 1,1-dibutyl-3-ethylurea?
1,1-dibutyl-3-ethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-ethylurea is sourced from PubChem (CID 3040358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).