1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea

C11H24N2O2 — CID 22381298

IUPAC1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
SMILESCCCC(O)C(CC)CNC(=O)NCC
InChIInChI=1S/C11H24N2O2/c1-4-7-10(14)9(5-2)8-13-11(15)12-6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYINUVXHIVYSZKF-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.49
Rot. Bonds7

About 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea

1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea (PubChem CID 22381298) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
PubChem CID22381298
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
SMILESCCCC(O)C(CC)CNC(=O)NCC
InChIInChI=1S/C11H24N2O2/c1-4-7-10(14)9(5-2)8-13-11(15)12-6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15)
InChIKeyYINUVXHIVYSZKF-UHFFFAOYSA-N
XLogP1.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea?
The IUPAC name of 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea (CID 22381298) is 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea?
The canonical SMILES for 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea is CCCC(O)C(CC)CNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea?
The InChIKey is YINUVXHIVYSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-7-10(14)9(5-2)8-13-11(15)12-6-3/h9-10,14H,4-8H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea?
1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea has a molecular weight of 216.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethyl-3-hydroxyhexyl)urea is sourced from PubChem (CID 22381298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).