1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea

C17H24N2O2 — CID 75429933

IUPAC1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
SMILESO=C(NC1CC=CCC1)N(CCCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-13-7-12-19(14-15-8-3-1-4-9-15)17(21)18-16-10-5-2-6-11-16/h1-5,8-9,16,20H,6-7,10-14H2,(H,18,21)
InChIKeyGBFADQPLUYLTAO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.69
Rot. Bonds6

About 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea

1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea (PubChem CID 75429933) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
PubChem CID75429933
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
SMILESO=C(NC1CC=CCC1)N(CCCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-13-7-12-19(14-15-8-3-1-4-9-15)17(21)18-16-10-5-2-6-11-16/h1-5,8-9,16,20H,6-7,10-14H2,(H,18,21)
InChIKeyGBFADQPLUYLTAO-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.69
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-(2-hydroxyethyl)urea
CID 111435351
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
3-[(1S)-cyclohex-2-en-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97084993
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
N-benzyl-N-(2-phenylethyl)cyclohex-3-ene-1-carboxamide
CID 112791258
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea?
The IUPAC name of 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea (CID 75429933) is 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea?
The canonical SMILES for 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea is O=C(NC1CC=CCC1)N(CCCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea?
The InChIKey is GBFADQPLUYLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-13-7-12-19(14-15-8-3-1-4-9-15)17(21)18-16-10-5-2-6-11-16/h1-5,8-9,16,20H,6-7,10-14H2,(H,18,21).
What are the key properties of 1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea?
1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea has a molecular weight of 288.39 g/mol, XLogP of 2.69, 6 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-(3-hydroxypropyl)urea is sourced from PubChem (CID 75429933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).