1-cyclohexyl-3-(4-phenylbutyl)urea

C17H26N2O — CID 2168612

IUPAC1-cyclohexyl-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-16-12-5-2-6-13-16)18-14-8-7-11-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H2,18,19,20)
InChIKeyZECRLUBDLCCMPF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.64
Rot. Bonds6

About 1-cyclohexyl-3-(4-phenylbutyl)urea

1-cyclohexyl-3-(4-phenylbutyl)urea (PubChem CID 2168612) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-phenylbutyl)urea
PubChem CID2168612
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cyclohexyl-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)NC1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-16-12-5-2-6-13-16)18-14-8-7-11-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H2,18,19,20)
InChIKeyZECRLUBDLCCMPF-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.64
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-cyclohexyl-3-(4-phenylbutyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-phenylbutyl)urea (CID 2168612) is 1-cyclohexyl-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-phenylbutyl)urea?
The InChIKey is ZECRLUBDLCCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(19-16-12-5-2-6-13-16)18-14-8-7-11-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-(4-phenylbutyl)urea?
1-cyclohexyl-3-(4-phenylbutyl)urea has a molecular weight of 274.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-phenylbutyl)urea is sourced from PubChem (CID 2168612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).