Cyclohexylcarbamic acid biphenyl-3-yl ester
Basic information
- CAS
546141-07-5- Standard SMILES
O=C(NC1CCCCC1)Oc1cccc(-c2ccccc2)c1- InChIKey
KGKDDSYRBQOMLE-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Overview
a fatty acid amide hydrolase inhibitor; structure in first source
Names & identifiers
- Preferred name
- Cyclohexylcarbamic acid biphenyl-3-yl ester
- IUPAC
- (3-phenylphenyl) N-cyclohexylcarbamate
- English name
- N-Cyclohexylcarbamic acid [1,1'-biphenyl]-3-yl ester
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
URB524cyclohexylcarbamic acid biphenyl-3-yl esterURB-524RefChem:919400546141-07-5biphenyl-N-cyclopentyl-carbamate(3-phenylphenyl) N-cyclohexylcarbamate[1,1'-Biphenyl]-3-yl cyclohexylcarbamateCHEMBL431202N-Cyclohexylcarbamic acid [1,1'-biphenyl]-3-yl ester3-Biphenylyl cyclohexylcarbamatecyclohexylcarbamic acidbiphenyl-3-yl ester
Show more names
Carbamic acid, N-cyclohexyl-, [1,1'-biphenyl]-3-yl ester
SCHEMBL530169orb1740358SCHEMBL29393643biphenyl-3-yl cyclohexylcarbamatebiphenyl-3-yl-cyclohexylcarbamateDTXSID401357121GLXC-07299BDBM50128585
Database identifiers
- CAS
546141-07-5- PubChem CID
- 10108554
- DTXSID
DTXSID401357121- ChEMBL
CHEMBL431202- Nikkaji
- J2.563.185D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Density
- 1.14 · 1.14
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…