1-cyclohexyl-1-hydroxy-3-phenylurea

C13H18N2O2 — CID 86182203

IUPAC1-cyclohexyl-1-hydroxy-3-phenylurea
SMILESO=C(Nc1ccccc1)N(O)C1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(14-11-7-3-1-4-8-11)15(17)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,14,16)
InChIKeyJVHXUJMYUPTLNA-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.24
Rot. Bonds2

About 1-cyclohexyl-1-hydroxy-3-phenylurea

1-cyclohexyl-1-hydroxy-3-phenylurea (PubChem CID 86182203) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-3-phenylurea
PubChem CID86182203
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-cyclohexyl-1-hydroxy-3-phenylurea
SMILESO=C(Nc1ccccc1)N(O)C1CCCCC1
InChIInChI=1S/C13H18N2O2/c16-13(14-11-7-3-1-4-8-11)15(17)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,14,16)
InChIKeyJVHXUJMYUPTLNA-UHFFFAOYSA-N
XLogP3.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
1-[chloro(phenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 150441182
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-cyclohexyl-N'-phenyloxamide
CID 2271218

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-3-phenylurea?
The IUPAC name of 1-cyclohexyl-1-hydroxy-3-phenylurea (CID 86182203) is 1-cyclohexyl-1-hydroxy-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-3-phenylurea is O=C(Nc1ccccc1)N(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-3-phenylurea?
The InChIKey is JVHXUJMYUPTLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(14-11-7-3-1-4-8-11)15(17)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,14,16).
What are the key properties of 1-cyclohexyl-1-hydroxy-3-phenylurea?
1-cyclohexyl-1-hydroxy-3-phenylurea has a molecular weight of 234.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-3-phenylurea is sourced from PubChem (CID 86182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).