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

C15H22N2O — CID 2930832

IUPAC1-cyclohexyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)
InChIKeyLAWBJZZKFIEJKK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.38
Rot. Bonds3

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

1-cyclohexyl-3-(1-phenylethyl)urea (PubChem CID 2930832) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-phenylethyl)urea
PubChem CID2930832
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)
InChIKeyLAWBJZZKFIEJKK-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 75089
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CID 95244
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CID 17400262
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CID 544877
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CID 2809754
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CID 11675645
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CID 11840968
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-phenylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-phenylethyl)urea (CID 2930832) is 1-cyclohexyl-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-phenylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-phenylethyl)urea is CC(NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(1-phenylethyl)urea?
The InChIKey is LAWBJZZKFIEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(1-phenylethyl)urea?
1-cyclohexyl-3-(1-phenylethyl)urea has a molecular weight of 246.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-phenylethyl)urea is sourced from PubChem (CID 2930832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).