(2,4-diethyl-3-hydroxyoctyl)urea

C13H28N2O2 — CID 22381377

IUPAC(2,4-diethyl-3-hydroxyoctyl)urea
SMILESCCCCC(CC)C(O)C(CC)CNC(N)=O
InChIInChI=1S/C13H28N2O2/c1-4-7-8-10(5-2)12(16)11(6-3)9-15-13(14)17/h10-12,16H,4-9H2,1-3H3,(H3,14,15,17)
InChIKeyHATCFSQJPNVNDV-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.26
Rot. Bonds9

About (2,4-diethyl-3-hydroxyoctyl)urea

(2,4-diethyl-3-hydroxyoctyl)urea (PubChem CID 22381377) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,4-diethyl-3-hydroxyoctyl)urea.

Molecular Properties

Compound Name(2,4-diethyl-3-hydroxyoctyl)urea
PubChem CID22381377
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2,4-diethyl-3-hydroxyoctyl)urea
SMILESCCCCC(CC)C(O)C(CC)CNC(N)=O
InChIInChI=1S/C13H28N2O2/c1-4-7-8-10(5-2)12(16)11(6-3)9-15-13(14)17/h10-12,16H,4-9H2,1-3H3,(H3,14,15,17)
InChIKeyHATCFSQJPNVNDV-UHFFFAOYSA-N
XLogP2.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-hydroxy-6-methyl-octyl)-acetamide
CID 163116185
1-[(4S,5S)-5-amino-6-cyclohexyl-4-hydroxyhexyl]-3-ethylurea
CID 15735047
N-(4-hydroxynonyl)Urea
CID 21501470
(2-Ethyl-3-hydroxyhexyl)urea
CID 22381162
1-Butyl-3-(2,4-diethyl-3-hydroxyoctyl)urea
CID 22381290
1-Ethyl-3-(2-ethyl-3-hydroxyhexyl)urea
CID 22381298
1-(2-Ethyl-3-hydroxyhexyl)-3-methylurea
CID 22381322
1-(2,4-Diethyl-3-hydroxyoctyl)imidazolidin-2-one
CID 22381346
1-(2,4-Diethyl-3-hydroxyoctyl)-3-ethylurea
CID 22381351
1-(2,4-Diethyl-3-hydroxyoctyl)-3-methylurea
CID 22381382
1-Butyl-3-(2-ethyl-3-hydroxyhexyl)urea
CID 22381415
1-Ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea
CID 22499137

Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-3-hydroxyoctyl)urea?
The IUPAC name of (2,4-diethyl-3-hydroxyoctyl)urea (CID 22381377) is (2,4-diethyl-3-hydroxyoctyl)urea.
What is the SMILES notation for (2,4-diethyl-3-hydroxyoctyl)urea?
The canonical SMILES for (2,4-diethyl-3-hydroxyoctyl)urea is CCCCC(CC)C(O)C(CC)CNC(N)=O.
What is the InChIKey of (2,4-diethyl-3-hydroxyoctyl)urea?
The InChIKey is HATCFSQJPNVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-8-10(5-2)12(16)11(6-3)9-15-13(14)17/h10-12,16H,4-9H2,1-3H3,(H3,14,15,17).
What are the key properties of (2,4-diethyl-3-hydroxyoctyl)urea?
(2,4-diethyl-3-hydroxyoctyl)urea has a molecular weight of 244.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-3-hydroxyoctyl)urea is sourced from PubChem (CID 22381377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).