2-ethylhexylurea

C9H20N2O — CID 533894

IUPAC2-ethylhexylurea
SMILESCCCCC(CC)CNC(N)=O
InChIInChI=1S/C9H20N2O/c1-3-5-6-8(4-2)7-11-9(10)12/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyXUGUGGFZFUIRAE-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.87
Rot. Bonds6

About 2-ethylhexylurea

2-ethylhexylurea (PubChem CID 533894) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethylhexylurea.

Molecular Properties

Compound Name2-ethylhexylurea
PubChem CID533894
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-ethylhexylurea
SMILESCCCCC(CC)CNC(N)=O
InChIInChI=1S/C9H20N2O/c1-3-5-6-8(4-2)7-11-9(10)12/h8H,3-7H2,1-2H3,(H3,10,11,12)
InChIKeyXUGUGGFZFUIRAE-UHFFFAOYSA-N
XLogP1.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexylurea?
The IUPAC name of 2-ethylhexylurea (CID 533894) is 2-ethylhexylurea.
What is the SMILES notation for 2-ethylhexylurea?
The canonical SMILES for 2-ethylhexylurea is CCCCC(CC)CNC(N)=O.
What is the InChIKey of 2-ethylhexylurea?
The InChIKey is XUGUGGFZFUIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-6-8(4-2)7-11-9(10)12/h8H,3-7H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-ethylhexylurea?
2-ethylhexylurea has a molecular weight of 172.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexylurea is sourced from PubChem (CID 533894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).