Namenoracymethadol
HMDB IDNot Available
DescriptionNot Available
Structure
Thumb
CAS numberNot Available
WeightAverage: 339.4712
Monoisotopic: 339.219829177
Chemical FormulaC22H29NO2
InChI KeyVWCUGCYZZGRKEE-UHFFFAOYNA-N
InChI
InChI=1/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3
IUPAC Name
6-(methylamino)-4,4-diphenylheptan-3-yl acetate
SMILES
CCC(OC(C)=O)C(CC(C)NC)(C1=CC=CC=C1)C1=CC=CC=C1
Reactions
SubstrateEnzymesProduct
Levomethadyl Acetate
noracymethadolDetails
Predicted Properties
PropertyValueSource
Water Solubility0.000713 mg/mLALOGPS
logP4.85ALOGPS
logP4.5ChemAxon
logS-5.7ALOGPS
pKa (Strongest Basic)10.34ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area38.33 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity112.56 m3·mol-1ChemAxon
Polarizability38.83 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon