1-benzyl-3-cyclohexylurea

C14H20N2O — CID 544877

IUPAC1-benzyl-3-cyclohexylurea
SMILESO=C(NCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKeyOOAFBZIRZNUNQV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.82
Rot. Bonds3

About 1-benzyl-3-cyclohexylurea

1-benzyl-3-cyclohexylurea (PubChem CID 544877) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexylurea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexylurea
PubChem CID544877
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-benzyl-3-cyclohexylurea
SMILESO=C(NCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKeyOOAFBZIRZNUNQV-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexylurea?
The IUPAC name of 1-benzyl-3-cyclohexylurea (CID 544877) is 1-benzyl-3-cyclohexylurea.
What is the SMILES notation for 1-benzyl-3-cyclohexylurea?
The canonical SMILES for 1-benzyl-3-cyclohexylurea is O=C(NCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-benzyl-3-cyclohexylurea?
The InChIKey is OOAFBZIRZNUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17).
What are the key properties of 1-benzyl-3-cyclohexylurea?
1-benzyl-3-cyclohexylurea has a molecular weight of 232.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexylurea is sourced from PubChem (CID 544877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).