1-(2-methylcyclohexyl)-3-phenylurea

C14H20N2O — CID 16116

IUPAC1-(2-methylcyclohexyl)-3-phenylurea
SMILESCC1CCCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
InChIKeyJXVIIQLNUPXOII-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-methylcyclohexyl)-3-phenylurea

1-(2-methylcyclohexyl)-3-phenylurea (PubChem CID 16116) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-phenylurea
PubChem CID16116
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-methylcyclohexyl)-3-phenylurea
SMILESCC1CCCCC1NC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)
InChIKeyJXVIIQLNUPXOII-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-phenylurea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-phenylurea (CID 16116) is 1-(2-methylcyclohexyl)-3-phenylurea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-phenylurea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-phenylurea is CC1CCCCC1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-phenylurea?
The InChIKey is JXVIIQLNUPXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-methylcyclohexyl)-3-phenylurea?
1-(2-methylcyclohexyl)-3-phenylurea has a molecular weight of 232.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-phenylurea is sourced from PubChem (CID 16116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).