1-cyclohexyl-3-(2-phenylethyl)urea

C15H22N2O — CID 742677

IUPAC1-cyclohexyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,16,17,18)
InChIKeyYJAMPQZPTKVFIU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds4

About 1-cyclohexyl-3-(2-phenylethyl)urea

1-cyclohexyl-3-(2-phenylethyl)urea (PubChem CID 742677) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-phenylethyl)urea
PubChem CID742677
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C15H22N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,16,17,18)
InChIKeyYJAMPQZPTKVFIU-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-phenylethyl)urea (CID 742677) is 1-cyclohexyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-phenylethyl)urea?
The InChIKey is YJAMPQZPTKVFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2-phenylethyl)urea?
1-cyclohexyl-3-(2-phenylethyl)urea has a molecular weight of 246.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 742677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).