1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea

C16H22N2O2 — CID 111435351

IUPAC1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CC=CCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-12-11-18(13-14-7-3-1-4-8-14)16(20)17-15-9-5-2-6-10-15/h1-5,7-8,15,19H,6,9-13H2,(H,17,20)
InChIKeyNNUUFBLDLWUKCA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds5

About 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea

1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea (PubChem CID 111435351) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
PubChem CID111435351
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CC=CCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-12-11-18(13-14-7-3-1-4-8-14)16(20)17-15-9-5-2-6-10-15/h1-5,7-8,15,19H,6,9-13H2,(H,17,20)
InChIKeyNNUUFBLDLWUKCA-UHFFFAOYSA-N
XLogP2.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
CID 75429933
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-[(4-fluorophenyl)methyl]-1-(2-hydroxyethyl)-3-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 131945389
1-benzyl-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)urea
CID 110894883
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-1-(2-hydroxyethyl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913070
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea (CID 111435351) is 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea is O=C(NC1CC=CCC1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea?
The InChIKey is NNUUFBLDLWUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-12-11-18(13-14-7-3-1-4-8-14)16(20)17-15-9-5-2-6-10-15/h1-5,7-8,15,19H,6,9-13H2,(H,17,20).
What are the key properties of 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea?
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea has a molecular weight of 274.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111435351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).