Metabolite N-Acetyl-N-desmethyldiphenhydramine

Name
N-Acetyl-N-desmethyldiphenhydramine
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 269.344
Monoisotopic: 269.141578856
Chemical Formula
C17H19NO2
InChI Key
AWIPIKYVEVPPRS-UHFFFAOYSA-N
InChI
InChI=1S/C17H19NO2/c1-14(19)18-12-13-20-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,18,19)
IUPAC Name
N-[2-(diphenylmethoxy)ethyl]acetamide
SMILES
CC(=O)NCCOC(C1=CC=CC=C1)C1=CC=CC=C1
Reactions
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.011 mg/mLALOGPS
logP2.88ALOGPS
logP2.66Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.86Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.33 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity79.3 m3·mol-1Chemaxon
Polarizability30.18 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon