1-cyclohexyl-1-methyl-3-phenylurea

C14H20N2O — CID 2813892

IUPAC1-cyclohexyl-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyUETYSSIXKKSCFG-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.48
Rot. Bonds2

About 1-cyclohexyl-1-methyl-3-phenylurea

1-cyclohexyl-1-methyl-3-phenylurea (PubChem CID 2813892) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-phenylurea
PubChem CID2813892
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclohexyl-1-methyl-3-phenylurea
SMILESCN(C(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyUETYSSIXKKSCFG-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-phenylurea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-phenylurea (CID 2813892) is 1-cyclohexyl-1-methyl-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-phenylurea is CN(C(=O)Nc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-phenylurea?
The InChIKey is UETYSSIXKKSCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,15,17).
What are the key properties of 1-cyclohexyl-1-methyl-3-phenylurea?
1-cyclohexyl-1-methyl-3-phenylurea has a molecular weight of 232.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-phenylurea is sourced from PubChem (CID 2813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).