1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea

C17H28N2O2 — CID 55739531

IUPAC1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESCCCCC(CC)CNC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-5-9-14(4-2)12-18-17(21)19-13-16(20)15-10-7-6-8-11-15/h6-8,10-11,14,16,20H,3-5,9,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyYREKPAFJEYSGPT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.24
Rot. Bonds9

About 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea

1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea (PubChem CID 55739531) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
PubChem CID55739531
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea
SMILESCCCCC(CC)CNC(=O)NCC(O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-5-9-14(4-2)12-18-17(21)19-13-16(20)15-10-7-6-8-11-15/h6-8,10-11,14,16,20H,3-5,9,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyYREKPAFJEYSGPT-UHFFFAOYSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
(1S)-1-phenylpentan-1-ol
CID 6992754
pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
N-(2-ethylhexyl)-2-hydroxybenzamide
CID 66524068
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
1-(4-amino-2-ethylbutyl)-3-benzylurea
CID 107654554
(2R)-N-[(2S)-2-ethylhexyl]-2-phenoxybutanamide
CID 2165377

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea?
The IUPAC name of 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea (CID 55739531) is 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea.
What is the SMILES notation for 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea?
The canonical SMILES for 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea is CCCCC(CC)CNC(=O)NCC(O)c1ccccc1.
What is the InChIKey of 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea?
The InChIKey is YREKPAFJEYSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-9-14(4-2)12-18-17(21)19-13-16(20)15-10-7-6-8-11-15/h6-8,10-11,14,16,20H,3-5,9,12-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea?
1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-(2-hydroxy-2-phenylethyl)urea is sourced from PubChem (CID 55739531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).