(2-ethyl-3-hydroxyhexyl)urea

C9H20N2O2 — CID 22381162

IUPAC(2-ethyl-3-hydroxyhexyl)urea
SMILESCCCC(O)C(CC)CNC(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-8(12)7(4-2)6-11-9(10)13/h7-8,12H,3-6H2,1-2H3,(H3,10,11,13)
InChIKeyFYIZRVOSBYWDJJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.84
Rot. Bonds6

About (2-ethyl-3-hydroxyhexyl)urea

(2-ethyl-3-hydroxyhexyl)urea (PubChem CID 22381162) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-ethyl-3-hydroxyhexyl)urea.

Molecular Properties

Compound Name(2-ethyl-3-hydroxyhexyl)urea
PubChem CID22381162
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2-ethyl-3-hydroxyhexyl)urea
SMILESCCCC(O)C(CC)CNC(N)=O
InChIInChI=1S/C9H20N2O2/c1-3-5-8(12)7(4-2)6-11-9(10)13/h7-8,12H,3-6H2,1-2H3,(H3,10,11,13)
InChIKeyFYIZRVOSBYWDJJ-UHFFFAOYSA-N
XLogP0.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)heptan-4-ol
CID 54499673
[3-(butylamino)-2,4-diethyloctyl]urea
CID 22381316
1-(3-ethyl-2-hydroxypentyl)-3-propylurea
CID 103657880
2-methylbutylurea
CID 22179633
bis(2-ethyl-3-hydroxyhexyl) but-2-enedioate
CID 54562434
2-aminohexylurea
CID 171485886
4-(2-aminoethyl)-N-(3-ethyl-2-hydroxypentyl)heptanamide
CID 106286630
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
2,3-dihydroxybutanedioic acid;2-ethylhexane-1,3-diol
CID 161019613
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593
N-(3-ethyl-2-hydroxypentyl)-2-methylhexanamide
CID 114246674
bis(2-ethyl-3-hydroxyhexyl) decanedioate
CID 134229647

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-hydroxyhexyl)urea?
The IUPAC name of (2-ethyl-3-hydroxyhexyl)urea (CID 22381162) is (2-ethyl-3-hydroxyhexyl)urea.
What is the SMILES notation for (2-ethyl-3-hydroxyhexyl)urea?
The canonical SMILES for (2-ethyl-3-hydroxyhexyl)urea is CCCC(O)C(CC)CNC(N)=O.
What is the InChIKey of (2-ethyl-3-hydroxyhexyl)urea?
The InChIKey is FYIZRVOSBYWDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-8(12)7(4-2)6-11-9(10)13/h7-8,12H,3-6H2,1-2H3,(H3,10,11,13).
What are the key properties of (2-ethyl-3-hydroxyhexyl)urea?
(2-ethyl-3-hydroxyhexyl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-hydroxyhexyl)urea is sourced from PubChem (CID 22381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).