N-Cyclohexyl-N’-(Propyl)Phenyl Urea

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.

Phenylpropylamines

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylpropylamines

Calculated Property

kind Value Source
logP 3.37 ALOGPS
logS -4 ALOGPS
Water Solubility 2.42e-02 g/l ALOGPS
logP 3.34 ChemAxon
IUPAC Name 1-cyclohexyl-3-(3-phenylpropyl)urea ChemAxon
Traditional IUPAC Name 1-cyclohexyl-3-(3-phenylpropyl)urea ChemAxon
Molecular Weight 260.3746 ChemAxon
Monoisotopic Weight 260.1888634 ChemAxon
SMILES O=C(NCCCC1=CC=CC=C1)NC1CCCCC1 ChemAxon
Molecular Formula C16H24N2O ChemAxon
InChI InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19) ChemAxon
InChIKey InChIKey=HBTZVNKXMFGOOJ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 41.13 ChemAxon
Refractivity 77.92 ChemAxon
Polarizability 31.15 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 15.47 ChemAxon
pKa (strongest basic) -0.62 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Bifunctional epoxide hydrolase 2 : in Human