1-cyclohexyl-3-phenylurea

C13H18N2O — CID 13451

IUPAC1-cyclohexyl-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKeyWPLYTRWMCWBZEN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.14
Rot. Bonds2

About 1-cyclohexyl-3-phenylurea

1-cyclohexyl-3-phenylurea (PubChem CID 13451) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-phenylurea
PubChem CID13451
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-cyclohexyl-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCCC1
InChIInChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKeyWPLYTRWMCWBZEN-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenylurea?
The IUPAC name of 1-cyclohexyl-3-phenylurea (CID 13451) is 1-cyclohexyl-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-3-phenylurea is O=C(Nc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-phenylurea?
The InChIKey is WPLYTRWMCWBZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16).
What are the key properties of 1-cyclohexyl-3-phenylurea?
1-cyclohexyl-3-phenylurea has a molecular weight of 218.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenylurea is sourced from PubChem (CID 13451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).