1-(cyclohexylmethyl)-3-phenylurea

C14H20N2O — CID 4557394

IUPAC1-(cyclohexylmethyl)-3-phenylurea
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/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,15,16,17)
InChIKeyRNPNQEFRIDREDZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.39
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-phenylurea

1-(cyclohexylmethyl)-3-phenylurea (PubChem CID 4557394) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-phenylurea
PubChem CID4557394
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(cyclohexylmethyl)-3-phenylurea
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/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,15,16,17)
InChIKeyRNPNQEFRIDREDZ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(cyclohexylmethyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-phenylurea?
The IUPAC name of 1-(cyclohexylmethyl)-3-phenylurea (CID 4557394) is 1-(cyclohexylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-phenylurea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-phenylurea is O=C(NCC1CCCCC1)Nc1ccccc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-phenylurea?
The InChIKey is RNPNQEFRIDREDZ-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/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,15,16,17).
What are the key properties of 1-(cyclohexylmethyl)-3-phenylurea?
1-(cyclohexylmethyl)-3-phenylurea has a molecular weight of 232.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-phenylurea is sourced from PubChem (CID 4557394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).