1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea

C18H28N2O — CID 108888715

IUPAC1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCCC1CCCCC1
InChIInChI=1S/C18H28N2O/c21-18(20-15-13-17-10-5-2-6-11-17)19-14-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H2,19,20,21)
InChIKeyUQUXFPMGJLGUAW-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.89
Rot. Bonds7

About 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea

1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea (PubChem CID 108888715) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea
PubChem CID108888715
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCCC1CCCCC1
InChIInChI=1S/C18H28N2O/c21-18(20-15-13-17-10-5-2-6-11-17)19-14-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H2,19,20,21)
InChIKeyUQUXFPMGJLGUAW-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea (CID 108888715) is 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea?
The InChIKey is UQUXFPMGJLGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18(20-15-13-17-10-5-2-6-11-17)19-14-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2,(H2,19,20,21).
What are the key properties of 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea?
1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea has a molecular weight of 288.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108888715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).